SCHEMBL4546362

SCHEMBL4546362

CC(C)c1cncnc1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
MCOLN2 Q8IZK6 1/20 0.36
CYP17A1 P05093 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
FAAH O00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 1/20 0.31

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
SCHEMBL29324345 0.85 P2RX3 (0.34) P2RX3P2RX2MCOLN2CYP17A1CYP11B1
SCHEMBL26558669 0.85 P2RX3 (0.34) P2RX3P2RX2
SCHEMBL21347897 0.85 MCOLN2 (0.36) MCOLN2CYP17A1CYP11B1CYP11B2
SCHEMBL25463387 0.81 TSHR (0.38) MCOLN2CYP17A1CYP11B1CYP11B2TSHR
SCHEMBL21041367 0.81 P2RX3 (0.33) P2RX3P2RX2CYP11B1CYP11B2TSHR
SCHEMBL6640709 0.81 MCOLN2 (0.35) MCOLN2CYP17A1CYP11B1CYP11B2MALT1
SCHEMBL18595099 0.81 TSHR (0.38) MCOLN2CYP17A1CYP11B1CYP11B2TSHR
SCHEMBL6644690 0.78 CYP17A1 (0.34) MCOLN2CYP17A1CYP3A4
SCHEMBL25719111 0.78 CYP11B1 (0.37) MCOLN2CYP11B1CYP11B2
SCHEMBL22661740 0.76 CYP17A1 (0.33) CYP17A1CYP11B1CYP11B2MALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103360324-A Novel pyrimidine derivatives and their use in perfume compositions INT FLAVORS & FRAGRANCES INC 2013-10-23 CN claimed
EP-2644688-A2 Novel pyrimidine derivatives and their use in perfume compositions International Flavors & Fragrances Inc. (US) 2013-10-02 EP claimed
US-20120277325-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2012-11-01 US claimed
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 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
EP-3790886-B1 KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC (US) 2024-06-26 EP 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-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-01-25 US disclosed
US-20230355759-A1 POPULATIONS OF NATURAL KILLER CELLS COMPRISING A CLEAVAGE RESISTANT CD16 CELULARITY INC. (US) 2023-11-09 US disclosed
US-20230348508-A1 METAL COMPLEX, ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME, AND CONSUMER PRODUCT BEIJING BAYI SPACE LIQUID CRYSTAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-20070270420-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 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-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-20070010668-A1 Pyrimidine compounds NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-01-11 US 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 (14 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-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF BCKDK, CYP11B2, HSD17B7 P2RX3 4141/4885P2RX2 4243/4885MCOLN2 3874/4885
US-20230355759-A1 POPULATIONS OF NATURAL KILLER CELLS COMPRISING A CLEAVAGE RESISTANT CD16 PBK, KLKB1, PIGK P2RX3 3542/4885P2RX2 3952/4885MCOLN2 3077/4885
US-20120277325-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN PERFUME COMPOSITIONS DPYD, HINT1, MTR P2RX3 40/4885P2RX2 35/4885MCOLN2 1367/4885
US-20070010668-A1 Pyrimidine compounds TYMS, TYMP, DPYD P2RX3 95/4885P2RX2 79/4885MCOLN2 4303/4885
US-20070185087-A1 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB P2RX3 4389/4885P2RX2 4491/4885MCOLN2 2617/4885
US-20070155718-A1 Caspase inhibitor prodrugs CASP1, CASP5, CASP2 P2RX3 204/4885P2RX2 254/4885MCOLN2 4641/4885
US-20070270420-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 GSK3B, GSK3A, GSKIP P2RX3 2404/4885P2RX2 3822/4885MCOLN2 4696/4885
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 P2RX3 3384/4885P2RX2 3305/4885MCOLN2 4725/4885
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 P2RX3 4757/4885P2RX2 4825/4885MCOLN2 4691/4885
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 P2RX3 3384/4885P2RX2 3305/4885MCOLN2 4725/4885
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use CRBN, CDR2, CRKL P2RX3 4435/4885P2RX2 4454/4885MCOLN2 1751/4885
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 P2RX3 4352/4885P2RX2 4598/4885MCOLN2 4411/4885
US-20070078140-A1 MET kinase inhibitors MET, ABL1, ERBB2 P2RX3 4139/4885P2RX2 3977/4885MCOLN2 3638/4885
US-20230348508-A1 METAL COMPLEX, ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME, AND CONSUMER PRODUCT TRPM5, TRPM6, TRPM2 P2RX3 816/4885P2RX2 746/4885MCOLN2 329/4885

“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.