SCHEMBL1303787

SCHEMBL1303787

COc1cccc2[nH]c(=O)[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.51
PDE3B Q13370 2/20 0.50
PDE3A Q14432 2/20 0.50
ADRB2 P07550 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ADRB1 P08588 3/20 0.48
ADRB3 P13945 3/20 0.48
CYP1A2 P05177 1/20 0.48
ALOX15 P16050 1/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
GRIA1 P42261 1/20 0.48
CACNG8 Q8WXS5 1/20 0.48
NQO2 P16083 1/20 0.47
DAO P14920 1/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL1135906 0.85 GRIN2D (0.53) ABCG2MEN1KMT2ANQO2DAO
SCHEMBL5379831 0.80 DRD2 (0.55) ADRB2MEN1KMT2AADRB1ADRB3
SCHEMBL14906565 0.79 ADRB2 (0.47) ADRB2MEN1KMT2AADRB1ADRB3
SCHEMBL1478515 0.78 ABCG2 (0.61) ABCG2PDE3BPDE3AMEN1KMT2A
SCHEMBL29443518 0.78 ABCG2 (0.61) ABCG2PDE3BPDE3AMEN1KMT2A
SCHEMBL3423322 0.78 NQO2 (0.57) ABCG2MEN1KMT2ANQO2DAO
SCHEMBL6763638 0.78 DRD2 (0.59) ADRB2MEN1KMT2AADRB1ADRB3
SCHEMBL29109151 0.76 BRD4 (0.60) PDE3BPDE3AMEN1KMT2AGRIA1
SCHEMBL763349 0.75 GRIA1 (0.52) PDE3BPDE3ACYP1A2GRIA1CACNG8
SCHEMBL6366865 0.74 ADRB2 (0.43) ADRB2MEN1KMT2AADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739070-B2 C5A receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2023-08-29 US disclosed
US-20200347029-A1 C5A RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD. (CH) 2020-11-05 US disclosed
US-8759532-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-06-24 US disclosed
EP-2364306-B1 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC (US) 2013-04-24 EP disclosed
EP-2364306-B1 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC (US) 2013-04-24 EP disclosed
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS ALLEN JENNIFER R (US) 2013-03-28 US disclosed
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS ALLEN JENNIFER R (US) 2013-03-28 US disclosed
US-8329700-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-12-11 US disclosed
US-8329700-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-12-11 US disclosed
US-8318718-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-11-27 US disclosed
EP-1221443-A1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-07-10 EP disclosed
EP-1218352-A1 BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE AND DOPAMINE RECEPTORS AFFINITY BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 2002-07-03 EP disclosed
US-6281218-B1 USEFUL IN THE TREATMENT OF CNS DISORDERS. INGELHEIM ITALIA S.P.A. (IT) 2001-08-28 US disclosed
WO-2001021593-A1 NEW BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE AND DOPAMINE RECEPTORS AFFINITY BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 2001-03-29 WO disclosed
EP-0189473-B1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-05-27 EP disclosed
US-4958026-A HYPOTENSIVE AGENTS SCHERING AKTIENGESLLSCHAFT (DE) 1990-09-18 US disclosed
EP-0346367-A1 ARYL- AND ARYLOXY-SUBSTITUTED TERT.-ALKYLENAMINES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE IN PHARMACY SCHERING AKTIENGESELLSCHAFT (DE) 1989-12-20 EP disclosed
WO-1988006580-A1 ARYL- AND ARYLOXY-SUBSTITUTED TERT.-ALKYLENAMINES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE IN PHARMACY SCHERING AKTIENGESELLSCHAFT (DE) 1988-09-07 WO disclosed
EP-0189473-A1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS. SCHERING AG (DE) 1986-08-06 EP disclosed
WO-1986001204-A1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1986-02-27 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 (3 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-20200347029-A1 C5A RECEPTOR MODULATORS C5AR1, C3AR1, C5AR2 ABCG2 814/4885PDE3B 696/4885PDE3A 926/4885
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A ABCG2 561/4885PDE3B 13/4885PDE3A 10/4885
US-11739070-B2 C5A receptor modulators C5AR1, C3AR1, C5AR2 ABCG2 814/4885PDE3B 696/4885PDE3A 926/4885

“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.