SCHEMBL256350

SCHEMBL256350

CN1Cc2cncnc2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.37
CYP2D6 P10635 8/20 0.37
CYP1A2 P05177 7/20 0.37
HSD17B10 Q99714 4/20 0.37
DPP4 P27487 1/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
CYP2C19 P33261 6/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
NAMPT P43490 2/20 0.34
TSHR P16473 1/20 0.34
HDAC1 Q13547 1/20 0.34
ALOX15 P16050 2/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
GABRG2 P18507 1/20 0.31
GABRB3 P28472 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
SCHEMBL8497505 0.84 MAOA (0.42) CYP3A4CYP2D6CYP1A2HSD17B10CYP2C19
SCHEMBL8445261 0.84 MAOA (0.42) CYP3A4CYP2D6CYP1A2CYP2C19MEN1
SCHEMBL28642560 0.77 HDAC1 (0.36) DPP4FAPDPP8DPP9NAMPT
SCHEMBL20159097 0.77 DPP4 (0.37) DPP4FAPDPP8DPP9NAMPT
SCHEMBL13322627 0.76 DPP4 (0.35) DPP4FAPDPP8DPP9NAMPT
SCHEMBL8217044 0.76 NAMPT (0.37) DPP4FAPDPP8DPP9ALDH1A1
SCHEMBL22098106 0.74 NOTUM (0.47) DPP8DPP9NAMPTHDAC1GABRG2
SCHEMBL30838602 0.72 HDAC1 (0.47) DPP4FAPDPP8DPP9NAMPT
SCHEMBL29710053 0.72 CTSL (0.41) DPP4FAPDPP8DPP9NAMPT
SCHEMBL29938028 0.71 DPP4 (0.38) CYP3A4CYP2D6CYP1A2HSD17B10DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024081345-A1 BENZOPYRIMIDIN-4(3H)-ONES AS PI3K INHIBITORS ONKURE, INC. (US) 2024-04-18 WO disclosed
WO-2024054469-A1 ISOQUINOLONES AS PI3K INHIBITORS ONKURE, INC. (US) 2024-03-14 WO disclosed
WO-2024036254-A2 SYNTHETIC PROCESSES AND INTERMEDIATES FOR PREPARING THERAPEUTIC AZAKETOLIDES ZIKANI THERAPEUTICS, INC. (US) 2024-02-15 WO disclosed
WO-2023239710-A1 BENZOPYRIMIDIN-4(3H)-ONES AS PI3K INHIBITORS ONKURE, INC. (US) 2023-12-14 WO disclosed
US-11834455-B2 Carm1 inhibitors and uses thereof Epizyme, Inc. (US) 2023-12-05 US disclosed
US-20230279020-A9 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2023-09-07 US disclosed
WO-2022263548-A1 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS LEAD DISCOVERY CENTER GMBH (DE) 2022-12-22 WO disclosed
EP-4104901-A1 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS Lead Discovery Center GmbH (DE) 2022-12-21 EP disclosed
WO-2022133064-A1 FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF MENIN-MLL INTERACTION BIOMEA FUSION, INC. (US) 2022-06-23 WO disclosed
WO-2021121282-A1 PREPARATION AND APPLICATION OF CLASS OF N-CONTAINING HETEROCYCLIC COMPOUNDS WITH IMMUNOMODULATORY FUNCTION 上海轶诺药业有限公司 2021-06-24 WO disclosed
US-20090215772-A1 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LIMITED (UK) 2009-08-27 US disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed
WO-2008055488-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2008-05-15 WO disclosed
US-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-29 US disclosed
US-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-29 US disclosed
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 US disclosed
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 US disclosed
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 US disclosed
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 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 (7 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-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 CYP3A4 917/4885CYP2D6 108/4885CYP1A2 549/4885
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 CYP3A4 3543/4885CYP2D6 2024/4885CYP1A2 2345/4885
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma HSP90AB2P, HSP90AA1, HSP90AB1 CYP3A4 2059/4885CYP2D6 532/4885CYP1A2 711/4885
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 CYP3A4 912/4885CYP2D6 108/4885CYP1A2 544/4885
US-20230279020-A9 CARM1 INHIBITORS AND USES THEREOF CARM1, TIAM1, ADRM1 CYP3A4 1389/4885CYP2D6 1700/4885CYP1A2 676/4885
US-11834455-B2 Carm1 inhibitors and uses thereof CARM1, TIAM1, ADRM1 CYP3A4 1387/4885CYP2D6 1699/4885CYP1A2 680/4885
US-20090215772-A1 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 CYP3A4 934/4885CYP2D6 99/4885CYP1A2 579/4885

“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.