SCHEMBL3276928

SCHEMBL3276928

COc1ccc(-c2[nH]nnc2-c2ccncc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.53
MAPK13 O15264 3/20 0.53
MAPK12 P53778 3/20 0.53
MAPK11 Q15759 3/20 0.53
RAF1 P04049 1/20 0.53
GCGR P47871 3/20 0.52
ALOX5 P09917 1/20 0.52
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
TGFBR1 P36897 1/20 0.48
CDC7 O00311 1/20 0.45
NPC1 O15118 2/20 0.44
CCNE2 O96020 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.43
GSK3B P49841 2/20 0.43

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
SCHEMBL11591094 0.85 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL27630900 0.84 GCGR (0.46) MAPK14GCGRKDM4ENPC1CDK4
SCHEMBL27630953 0.84 DYRK1B (0.45) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL703856 0.82 NPC1 (0.55) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL702859 0.81 IDO1 (0.43) NPC1KMT2ARAB9ASCN4AMEN1
SCHEMBL701773 0.79 XDH (0.49) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL411907 0.79 GSK3A (0.43) KDM4ENPC1KMT2ARAB9AGSK3B
SCHEMBL411898 0.79 KMT2A (0.42) KDM4ENPC1KMT2ARAB9ASCN4A
SCHEMBL702632 0.79 KMT2A (0.49) KDM4ENPC1KMT2ARAB9AGSK3B
SCHEMBL25220966 0.79 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825254-B2 Heteroaromatic quinoline compounds PFIZER INC. (US) 2010-11-02 US disclosed
EP-1841757-B1 HETEROAROMATIC QUINOLINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PFIZER PROD INC (US) 2010-06-30 EP disclosed
US-7429665-B2 Heteroaromatic quinoline compounds PFIZER INC (US) 2008-09-30 US disclosed
US-20080214607-A1 HETEROAROMATIC QUINOLINE COMPOUNDS PFIZER INC 2008-09-04 US disclosed
EP-1841757-A2 HETEROAROMATIC QUINOLINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS Pfizer Products Incorporated (US) 2007-10-10 EP disclosed
US-20060154931-A1 Heteroaromatic quinoline compounds PFIZER INC 2006-07-13 US disclosed
WO-2006072828-A2 HETEROAROMATIC QUINOLINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2006-07-13 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-20060154931-A1 Heteroaromatic quinoline compounds PDE12, PDE7A, PDE4A MAPK14 3564/4885MAPK13 2697/4885MAPK12 1987/4885
US-20080214607-A1 HETEROAROMATIC QUINOLINE COMPOUNDS PDE12, PDE7A, PDE4A MAPK14 3564/4885MAPK13 2697/4885MAPK12 1987/4885

“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.