SCHEMBL2885649

SCHEMBL2885649

O=Cc1c[nH]c2cc3c(cc12)OCO3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR1A P08908 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR1E P28566 1/20 0.48
HTR1F P30939 1/20 0.48
HTR7 P34969 1/20 0.48
HTR2B P41595 1/20 0.48
HTR3A P46098 1/20 0.48
HTR5A P47898 1/20 0.48
HTR6 P50406 1/20 0.48
HTR4 Q13639 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
CYP2A6 P11509 2/20 0.47
IMPDH2 P12268 1/20 0.44
CCNT1 O60563 1/20 0.44

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
SCHEMBL18962466 0.73 HTR1D (0.55) HTR3EHTR3BHTR1AHTR1DHTR1B
SCHEMBL29162324 0.73 HTR3E (0.51) HTR3EHTR3BHTR1AHTR1DHTR1B
SCHEMBL14070022 0.72 LMNA (0.64) ALDH1A1MAPTLMNAHPGDHSD17B10
SCHEMBL29957688 0.72 HTR3E (0.51) HTR3EHTR3BHTR1AHTR1DHTR1B
SCHEMBL3179154 0.72 HTR3E (0.51) HTR3EHTR3BHTR1AHTR1DHTR1B
SCHEMBL186914 0.71 CYP2A6 (0.53) CYP2A6IMPDH2CCNT1CDK9HASPIN
SCHEMBL16727124 0.71 CYP2A6 (0.53) CYP2A6IMPDH2CCNT1CDK9HASPIN
SCHEMBL29956600 0.71 CYP2A6 (0.53) CYP2A6IMPDH2CCNT1CDK9HASPIN
SCHEMBL30388511 0.70 KDM4E (0.53) HTR3EHTR3BHTR1AHTR1DHTR1B
SCHEMBL30668159 0.70 KDM4E (0.53) HTR3EHTR3BHTR1AHTR1DHTR1B

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035429-B1 FUSED [d]PYRIDAZIN-7-ONES CEPHALON INC (US) 2012-09-19 EP disclosed
US-7732447-B2 such as 4-Pyridin-3-yl-2,5-dihydro-pyridazino[4,5-b]indol-1-one, used as inhibitors of vascular endothelial growth factor receptor (VEGFR) kinase, mixed lineage kinase (MLK) or cyclin-dependent kinase (CDK); treatment of angiogenic disorders and neurodegenerative diseases CEPHALON, INC. (US) 2010-06-08 US disclosed
US-7732447-B2 such as 4-Pyridin-3-yl-2,5-dihydro-pyridazino[4,5-b]indol-1-one, used as inhibitors of vascular endothelial growth factor receptor (VEGFR) kinase, mixed lineage kinase (MLK) or cyclin-dependent kinase (CDK); treatment of angiogenic disorders and neurodegenerative diseases CEPHALON, INC. (US) 2010-06-08 US disclosed
US-7732447-B2 such as 4-Pyridin-3-yl-2,5-dihydro-pyridazino[4,5-b]indol-1-one, used as inhibitors of vascular endothelial growth factor receptor (VEGFR) kinase, mixed lineage kinase (MLK) or cyclin-dependent kinase (CDK); treatment of angiogenic disorders and neurodegenerative diseases CEPHALON, INC. (US) 2010-06-08 US disclosed
US-20070299061-A1 Fused [d]pyridazin-7-ones CEPHALON, INC. (US) 2007-12-27 US disclosed
US-20070299061-A1 Fused [d]pyridazin-7-ones CEPHALON, INC. (US) 2007-12-27 US disclosed
US-20070299061-A1 Fused [d]pyridazin-7-ones CEPHALON, INC. (US) 2007-12-27 US disclosed
US-6831075-B2 Administering to a host for inhibiting kinase activity a 5-heterocylcic subustituted pyrazolone derivative CEPHALON, INC. 2004-12-14 US disclosed
EP-1109813-B1 PYRROLOINDOLES, PYRIDOINDOLES AND AZEPINOINDOLES AS 5-HT2C AGONISTS VERNALIS RES LTD (GB) 2004-08-11 EP disclosed
US-20030162775-A1 Heterocyclic substituted pyrazolones CEPHALON, INC. 2003-08-28 US disclosed
US-6455525-B1 Heterocyclic substituted pyrazolones CEPHALON, INC. 2002-09-24 US disclosed
US-6433175-B1 ANTISEROTONINE AGENTS VERNALIS RESEARCH LIMITED (GB) 2002-08-13 US disclosed
EP-1226141-A1 HETEROCYCLIC SUBSTITUTED PYRAZOLONES CEPHALON, INC. (US) 2002-07-31 EP disclosed
EP-1109813-A1 PYRROLOINDOLES, PYRIDOINDOLES AND AZEPINOINDOLES AS 5-HT2C AGONISTS VERNALIS RESEARCH LIMITED (GB) 2001-06-27 EP disclosed
WO-2001032653-A1 HETEROCYCLIC SUBSTITUTED PYRAZOLONES CEPHALON, INC. (US) 2001-05-10 WO disclosed
WO-2000012510-A1 PYRROLOINDOLES, PYRIDOINDOLES AND AZEPINOINDOLES AS 5-HT2C AGONISTS VERNALIS RESEARCH LIMITED (GB) 2000-03-09 WO disclosed
WO-1992007829-A1 INDOLE-3-METHANAMINES USEFUL AS ANTI-DIABETIC, ANTI-OBESITY AND ANTI-ATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1992-05-14 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 (2 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-20030162775-A1 Heterocyclic substituted pyrazolones CYP3A4, CYP3A5, PDXK HTR3E 1560/4885HTR3B 1404/4885HTR1A 2702/4885
US-20070299061-A1 Fused [d]pyridazin-7-ones CDK5, CDK5R1, CDK7 HTR3E 1354/4885HTR3B 1842/4885HTR1A 2166/4885

“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.