SCHEMBL269127

SCHEMBL269127

CC(C)c1ccncc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.46
ALOX5 P09917 1/20 0.38
AOC1 P19801 2/20 0.34
AOC3 Q16853 2/20 0.34
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
LMNA P02545 2/20 0.33
CYP3A4 P08684 2/20 0.33
FAAH O00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
GABRB3 P28472 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24448624 0.86 RPS6KA3 (0.41) RPS6KA3ALOX5AOC1AOC3GSK3B
SCHEMBL26030475 0.86 RPS6KA3 (0.45) RPS6KA3ALOX5AOC1AOC3GSK3B
SCHEMBL25996380 0.86 RPS6KA3 (0.45) RPS6KA3ALOX5AOC1AOC3GSK3B
SCHEMBL24448462 0.86 RPS6KA3 (0.41) RPS6KA3ALOX5AOC1AOC3GSK3B
SCHEMBL18557486 0.83 TSHR (0.39) RPS6KA3ALOX5AOC1AOC3LMNA
SCHEMBL24481241 0.83 TSHR (0.44) RPS6KA3ALOX5AOC1AOC3LMNA
SCHEMBL6408659 0.82 RPS6KA3 (0.44) RPS6KA3ALOX5AOC1AOC3GABRA1
SCHEMBL31651702 0.80 GAA (0.43) RPS6KA3ALOX5AOC1AOC3GABRA1
SCHEMBL31188403 0.80 SIRT3 (0.41) RPS6KA3ALOX5AOC1AOC3CYP3A4
SCHEMBL2737302 0.80 RPS6KA3 (0.43) RPS6KA3ALOX5AOC1AOC3LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 433 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-20240228487-A1 FUSED HETEROCYCLIC COMPOUND AND APPLICATION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND APPLICATION THEREOF ZHEJIANG UNIVERSITY (CN) 2024-07-11 US disclosed
US-20240228480-A1 PROCESSES FOR PREPARING PYRROLOPYRIDINE-ANILINE COMPOUNDS CURIA GLOBAL, INC. 2024-07-11 US disclosed
US-20240228480-A1 PROCESSES FOR PREPARING PYRROLOPYRIDINE-ANILINE COMPOUNDS CURIA GLOBAL, INC. 2024-07-11 US disclosed
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use BEIGENE SWITZERLAND GMBH (CH) 2024-06-27 US disclosed
WO-2024138045-A1 MODULATORS OF NLRP3 INFLAMMASOME AND RELATED PRODUCTS AND METHODS Neumora Therapeutics, Inc. (US) 2024-06-27 WO disclosed
EP-4328229-A2 SUBSTITUTED HETEROCYCLIC FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-02-28 EP disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20240025878-A1 MDM2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20070237947-A1 Superhydrophobic fibers produced by electrospinning and chemical vapor deposition MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-10-11 US disclosed
US-20070185087-A1 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-20070173501-A1 SUBSTITUTED 3-(5-MEMBERED UNSATURATED HETEROCYCLYL-1, 3-DIHYDRO-INDOL-2-ONE'S AND DERIVATIVES THEREOF AS KINASE INHIBITORS ALLERGAN, INC. (US) 2007-07-26 US disclosed
US-20070173500-A1 SUBSTITUTED 3-(5-MEMBERED UNSATURATED HETEROCYCLYL-1, 3-DIHYDRO-INDOL-2-ONE'S AND DERIVATIVES THEREOF AS KINASE INHIBITORS ALLERGAN, INC. (US) 2007-07-26 US disclosed
US-20070155718-A1 Caspase inhibitor prodrugs VERTEX PHARMACEUTICALS INCORPORATED 2007-07-05 US disclosed
US-20070078140-A1 MET kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 US disclosed
US-20070010668-A1 Pyrimidine compounds NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-01-11 US disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240025878-A1 MDM2 DEGRADERS AND USES THEREOF MDM2, TP53, MDM4 RPS6KA3 2247/4885ALOX5 3524/4885AOC1 4339/4885
US-20070010668-A1 Pyrimidine compounds TYMS, TYMP, DPYD RPS6KA3 1713/4885ALOX5 1242/4885AOC1 942/4885
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF RPS6KA3 355/4885ALOX5 3837/4885AOC1 3222/4885
US-20240228480-A1 PROCESSES FOR PREPARING PYRROLOPYRIDINE-ANILINE COMPOUNDS ADH1C, SIK1, PKN2 RPS6KA3 760/4885ALOX5 2498/4885AOC1 447/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 RPS6KA3 627/4885ALOX5 4680/4885AOC1 2797/4885
US-20070185087-A1 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB RPS6KA3 1352/4885ALOX5 4376/4885AOC1 3669/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS RPS6KA3 2136/4885ALOX5 2390/4885AOC1 592/4885
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 RPS6KA3 2572/4885ALOX5 4249/4885AOC1 3415/4885
US-20070155718-A1 Caspase inhibitor prodrugs CASP1, CASP5, CASP2 RPS6KA3 4523/4885ALOX5 219/4885AOC1 1476/4885
US-20070173501-A1 SUBSTITUTED 3-(5-MEMBERED UNSATURATED HETEROCYCLYL-1, 3-DIHYDRO-INDOL-2-ONE'S AND DERIVATIVES THEREOF AS KINASE INHIBITORS DSTYK, CDK2, ERBB2 RPS6KA3 333/4885ALOX5 2437/4885AOC1 3502/4885
US-20070173500-A1 SUBSTITUTED 3-(5-MEMBERED UNSATURATED HETEROCYCLYL-1, 3-DIHYDRO-INDOL-2-ONE'S AND DERIVATIVES THEREOF AS KINASE INHIBITORS DSTYK, CDK2, ERBB2 RPS6KA3 333/4885ALOX5 2437/4885AOC1 3502/4885
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use CRBN, CDR2, CRKL RPS6KA3 2900/4885ALOX5 4310/4885AOC1 4042/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 RPS6KA3 2648/4885ALOX5 977/4885AOC1 4768/4885
US-20070078140-A1 MET kinase inhibitors MET, ABL1, ERBB2 RPS6KA3 140/4885ALOX5 4153/4885AOC1 3466/4885
US-20240228487-A1 FUSED HETEROCYCLIC COMPOUND AND APPLICATION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND APPLICATION THEREOF TRPM2, TRPM8, TRPM7 RPS6KA3 3833/4885ALOX5 2639/4885AOC1 1448/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.