SCHEMBL2611049

SCHEMBL2611049

CC(C)c1cccc2[nH]cnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.46
BRD4 O60885 1/20 0.42
TAAR1 Q96RJ0 1/20 0.40
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
FAAH O00519 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GABRA1 P14867 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39

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
SCHEMBL7856459 0.85 PARP1 (0.47) PARP1BRD4LMNADRD4DRD3
SCHEMBL24351926 0.85 PARP1 (0.44) PARP1BRD4LMNAHPGDDRD4
SCHEMBL18713659 0.82 TSHR (0.42) PARP1BRD4LMNATSHRDRD4
SCHEMBL2127998 0.82 PARP1 (0.41) PARP1BRD4TAAR1DRD4DRD3
SCHEMBL2127994 0.81 HTR2A (0.47) PARP1BRD4TAAR1LMNAHTR2C
SCHEMBL2496022 0.81 PARP1 (0.41) PARP1BRD4HPGDDRD4DRD3
SCHEMBL20032408 0.80 PARP1 (0.42) PARP1BRD4DRD4DRD3DRD2
SCHEMBL2497545 0.80 PARP1 (0.50) PARP1BRD4
SCHEMBL2820806 0.79 PARP1 (0.56) PARP1BRD4
SCHEMBL16746078 0.76 LMNA (0.38) PARP1BRD4LMNAHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174583-A1 PROCESSES FOR THE VAPOR PHASE HYDROGENATION OF ALDEHYDES DOW TECHNOLOGY INVESTMENTS LLC (US) 2024-05-30 US disclosed
EP-4347544-A1 PROCESSES FOR THE VAPOR PHASE HYDROGENATION OF ALDEHYDES Dow Technology Investments LLC (US) 2024-04-10 EP disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20230382907-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2023-11-30 US disclosed
US-20230382865-A1 HISTONE DEMETHYLASE 5 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-30 US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-11807638-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ENLIVEN INC. (US) 2023-11-07 US disclosed
US-20090124609-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-05-07 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 US disclosed
EP-0873292-B1 IMPROVED METAL-LIGAND COMPLEX CATALYZED PROCESSES UNION CARBIDE CHEM PLASTIC (US) 2001-12-19 EP disclosed
EP-0873292-A1 IMPROVED METAL-LIGAND COMPLEX CATALYZED PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-10-28 EP disclosed
US-5731472-A HETEROCYCLIC NITROGEN COMPOUNDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-03-24 US disclosed
WO-1997020798-A1 IMPROVED METAL-LIGAND COMPLEX CATALYZED PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-06-12 WO disclosed
US-3985563-A Silver halide photographic emulsion FUJI PHOTO FILM CO., LTD. (JA) 1976-10-12 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 (10 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-20230382865-A1 HISTONE DEMETHYLASE 5 INHIBITORS AND USES THEREOF KDM5A, KDM5B, KDM5C PARP1 1940/4885BRD4 808/4885TAAR1 3596/4885
US-11807638-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ABL1, ABL2, BCR PARP1 1876/4885BRD4 503/4885TAAR1 2844/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA PARP1 2066/4885BRD4 3791/4885TAAR1 3804/4885
US-20230382907-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR PARP1 1876/4885BRD4 503/4885TAAR1 2844/4885
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PI4KB, PI4KA PARP1 1503/4885BRD4 2924/4885TAAR1 3819/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 PARP1 2477/4885BRD4 2720/4885TAAR1 4620/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS PARP1 1381/4885BRD4 461/4885TAAR1 3094/4885
US-20090124609-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET PARP1 1457/4885BRD4 3499/4885TAAR1 4599/4885
US-20240174583-A1 PROCESSES FOR THE VAPOR PHASE HYDROGENATION OF ALDEHYDES ADH1C, ADH5, ALDH2 PARP1 2414/4885BRD4 1339/4885TAAR1 339/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS PARP1 1024/4885BRD4 882/4885TAAR1 4793/4885

“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.