SCHEMBL748904

SCHEMBL748904

O=C1Cc2cc(-c3cccnc3)ccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 1.00
CYP11B2 P19099 11/20 1.00
CYP1A2 P05177 5/20 1.00
PDE3B Q13370 2/20 0.77
PDE3A Q14432 2/20 0.77
CYP2C9 P11712 2/20 0.77
TBXAS1 P24557 1/20 0.77
TDP2 O95551 2/20 0.71
PGR P06401 2/20 0.61
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
GRIA1 P42261 3/20 0.55
BMPR1B O00238 1/20 0.54
BMPR1A P36894 1/20 0.54
TGFBR1 P36897 1/20 0.54
ACVRL1 P37023 1/20 0.54
ACVR1 Q04771 1/20 0.54
CACNG8 Q8WXS5 2/20 0.54

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
SCHEMBL29849907 1.00 CYP11B1 (1.00) CYP11B1CYP11B2CYP1A2PDE3BPDE3A
SCHEMBL29849827 1.00 CYP11B1 (1.00) CYP11B1CYP11B2CYP1A2PDE3BPDE3A
SCHEMBL29899595 1.00 CYP11B1 (1.00) CYP11B1CYP11B2CYP1A2PDE3BPDE3A
SCHEMBL29899622 0.88 CYP11B1 (0.79) CYP11B1CYP11B2CYP1A2PDE3BPDE3A
SCHEMBL3659028 0.88 CYP11B1 (0.79) CYP11B1CYP11B2CYP1A2PDE3BPDE3A
SCHEMBL16090321 0.88 CYP11B1 (0.78) CYP11B1CYP11B2CYP1A2PDE3BPDE3A
SCHEMBL1119375 0.87 CYP11B1 (1.00) CYP11B1CYP11B2CYP1A2PDE3BPDE3A
SCHEMBL1879799 0.85 CYP11B1 (0.85) CYP11B1CYP11B2CYP1A2PDE3BPDE3A
SCHEMBL22202070 0.83 PDE3B (0.71) CYP11B1CYP11B2CYP1A2PDE3BPDE3A
SCHEMBL18010824 0.83 TDP2 (1.00) CYP11B1CYP11B2CYP1A2PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541404-B2 Inhibitors of the human aldosterone synthase CYP11B2 ELEXOPHARM GMBH (DE) 2013-09-24 US claimed
EP-2280954-B1 6-PYRIDIN-3-YL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN ALDOSTERONE SYNTHASE CYP11B2 UNIV SAARLAND (DE) 2013-03-27 EP claimed
US-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-19 US claimed
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-12 US claimed
EP-2280954-A1 6-PYRIDIN-3-YL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN ALDOSTERONE SYNTHASE CYP11B2 Universität des Saarlandes (DE) 2011-02-09 EP claimed
WO-2009135651-A1 6-PYRIDIN-3-YL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN ALDOSTERONE SYNTHASE CYP11B2 UNIVERSITÄT SAARLANDES (DE) 2009-11-12 WO claimed
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 EP claimed
CN-1923812-A New compounds ASTRAZENECA AB (SE) 2007-03-07 CN claimed
CN-1642938-A Novel compounds ASTRAZENECA AB (SE) 2005-07-20 CN claimed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US claimed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP claimed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 WO claimed
US-11787802-B2 Dihydrobenzimidazolones for medical treatment C4 THERAPEUTICS, INC. (US) 2023-10-17 US disclosed
US-11542274-B1 Therapeutic compounds and methods of use thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2023-01-03 US disclosed
US-11542274-B1 Therapeutic compounds and methods of use thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2023-01-03 US disclosed
CN-114929670-A Therapeutic compounds and methods of use thereof 新加坡科技研究局 2022-08-19 CN disclosed
WO-2002068411-A1 CDK-1 INHIBITOR OXINDOLES AND THE APPLICATION THEREOF IN THERAPEUTICS AVENTIS PHARMA S.A. (FR) 2002-09-06 WO disclosed
US-6268391-B1 Benzylidene-1,3-dihydro-indol-2-one derivatives a receptor tyrosine kinase inhibitors, particularly of Raf kinases GLAXO WELLCOME INC. 2001-07-31 US disclosed
EP-1003721-A1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LIMITED (GB) 2000-05-31 EP disclosed
WO-1999010325-A1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LIMITED (GB) 1999-03-04 WO 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 (5 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-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 HSD11B1, HSD11B2, CYP4A11 CYP11B1 6/4885CYP11B2 4/4885CYP1A2 23/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 CYP11B1 3/4885CYP11B2 4/4885CYP1A2 101/4885
US-11787802-B2 Dihydrobenzimidazolones for medical treatment CRBN, CUL4A, ADRM1 CYP11B1 2060/4885CYP11B2 2347/4885CYP1A2 4577/4885
US-11542274-B1 Therapeutic compounds and methods of use thereof MDM2, SUMO2, XIAP CYP11B1 3985/4885CYP11B2 3846/4885CYP1A2 4438/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 CYP11B1 3/4885CYP11B2 2/4885CYP1A2 62/4885

“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.