SCHEMBL1120933

SCHEMBL1120933

COc1ccc2cc(-c3cccnc3)[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.62
CYP11B2 P19099 7/20 0.61
CYP11B1 P15538 6/20 0.61
CYP17A1 P05093 4/20 0.61
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
ITK Q08881 2/20 0.54
CCNB2 O95067 2/20 0.54
CDK1 P06493 2/20 0.54
CCNB1 P14635 2/20 0.54
CCNB3 Q8WWL7 2/20 0.54
PLK4 O00444 1/20 0.54
CHEK1 O14757 1/20 0.54
AURKA O14965 1/20 0.54
ABL1 P00519 1/20 0.54
PDGFRB P09619 1/20 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
SCHEMBL1606084 0.89 NPC1 (0.69) CYP19A1CYP11B2CYP11B1CYP17A1KDM4E
SCHEMBL4568278 0.85 CYP19A1 (0.64) CYP19A1CYP11B2CYP11B1CYP17A1KDM4E
SCHEMBL3699661 0.82 KDM4E (0.77) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL2789205 0.81 CYP19A1 (0.68) CYP19A1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1536468 0.79 KDM4E (0.58) CYP19A1CYP11B2CYP11B1CYP17A1KDM4E
SCHEMBL7945775 0.79 KDM4E (0.73) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL4568280 0.78 CYP19A1 (0.56) CYP19A1CYP11B2CYP11B1CYP17A1KDM4E
SCHEMBL1605273 0.78 CYP19A1 (0.68) CYP19A1KDM4EALDH1A1HPGDNPC1
SCHEMBL1605712 0.78 CYP19A1 (0.68) CYP19A1CYP11B2CYP11B1HPGDCDK5
SCHEMBL21812475 0.78 CYP19A1 (0.56) CYP19A1CYP11B2CYP11B1CYP17A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1935882-B1 Bicyclic compounds ASAHI KASEI PHARMA CORP (JP) 2011-02-09 EP disclosed
US-7598284-B2 Indazole compounds as B3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2009-10-06 US disclosed
US-7511069-B2 Indazole compounds as β3 andrenoceptor agonist ASAHI PHARMA CORPORATION (JP) 2009-03-31 US disclosed
EP-1447400-B1 BICYCLIC COMPOUND ASAHI KASEI PHARMA CORP (JP) 2008-09-17 EP disclosed
EP-1935882-A1 Bicyclic compounds Asahi Kasei Pharma Corporation (JP) 2008-06-25 EP disclosed
US-20080076815-A1 Indole compounds as B3 androceptor agonist ASHI KASEI PHARMA CORPORATION (JP) 2008-03-27 US disclosed
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ASAHI KASEI PHARMA CORPORATION (JP) 2008-01-17 US disclosed
US-7271190-B2 Indazole compounds as β3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2007-09-18 US disclosed
US-20050020602-A1 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 US disclosed
EP-1447400-A1 BICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2004-08-18 EP 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-20050020602-A1 Bicyclic compound GOT1, H1-0, HSD11B1 CYP19A1 59/4885CYP11B2 22/4885CYP11B1 9/4885
US-20080076815-A1 Indole compounds as B3 androceptor agonist OPRL1, NPBWR1, NPY4R CYP19A1 1328/4885CYP11B2 251/4885CYP11B1 325/4885
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ADRB3, ADRB2, OPRD1 CYP19A1 1485/4885CYP11B2 282/4885CYP11B1 342/4885

“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.