SCHEMBL4245696

SCHEMBL4245696

COC(=O)c1ccc2[nH]c(-c3cccnc3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.59
CYP19A1 P11511 1/20 0.59
CYP11B2 P19099 1/20 0.59
ALDH1A1 P00352 5/20 0.57
HPGD P15428 3/20 0.57
KDM4E B2RXH2 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 2/20 0.57
PKM P14618 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
HSD17B10 Q99714 1/20 0.56
MAPT P10636 4/20 0.55
STAT1 P42224 1/20 0.55
LDHA P00338 1/20 0.54
EPHX2 P34913 1/20 0.54
RHEB Q15382 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
SCHEMBL5031669 0.91 ALDH1A1 (0.65) CYP11B1CYP19A1CYP11B2ALDH1A1HPGD
SCHEMBL3222740 0.86 KDM4E (0.71) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL2419363 0.85 FHIT (0.66) CYP11B1ALDH1A1HPGDKDM4ENPC1
SCHEMBL4245435 0.85 ATM (0.65) ALDH1A1HPGDKDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL30483171 0.85 MKNK1 (0.55) CYP11B1ALDH1A1HPGDKDM4ENPC1
SCHEMBL25318263 0.83 KDM4E (0.75) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL29906102 0.83 KDM4E (0.75) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL18375988 0.83 NPC1 (0.57) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL1170648 0.83 KDM4E (0.61) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL13797840 0.82 NEK1 (0.51) CYP11B1CYP19A1CYP11B2RHEBFHIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US disclosed
EP-1718642-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005082901-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 CYP11B1 4239/4885CYP19A1 4528/4885CYP11B2 4272/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA CYP11B1 1275/4885CYP19A1 1461/4885CYP11B2 1629/4885

“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.