SCHEMBL3278138

SCHEMBL3278138

COc1ccc(-n2ccnc2-c2ccncc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.58
MAPK10 P53779 1/20 0.58
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDR P35968 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
TP53 P04637 1/20 0.44
NPC1 O15118 2/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP19A1 P11511 1/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
BCHE P06276 1/20 0.42
DYRK1A Q13627 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL3270536 0.94 MAPK9 (0.51) MAPK9MAPK10GAAL3MBTL1KDR
SCHEMBL11771718 0.92 KDR (0.49) MAPK9MAPK10L3MBTL1KDRTP53
SCHEMBL11385870 0.88 KDR (0.58) MAPK9MAPK10GAAL3MBTL1KDR
SCHEMBL29975108 0.85 GLA (0.55) MAPK9MAPK10KDRMAPKAPK2TP53
SCHEMBL28186123 0.85 GLA (0.55) MAPK9MAPK10KDRMAPKAPK2TP53
SCHEMBL28186197 0.84 KDR (0.55) MAPK9MAPK10L3MBTL1KDRNPC1
SCHEMBL13309568 0.83 MAPK9 (0.60) MAPK9MAPK10GAAL3MBTL1KDR
SCHEMBL28264653 0.81 MAPT (0.56) MAPK9MAPK10KDRTP53NPC1
SCHEMBL15315965 0.81 TUBB4A (0.44) MAPK9MAPK10L3MBTL1KDRTP53
SCHEMBL11567840 0.79 KMT2A (0.46) L3MBTL1TP53CYP1A2CYP3A4CYP2D6

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
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
EP-1979343-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS Pfizer Products Inc. (US) 2008-10-15 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
WO-2007077490-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2007-07-12 WO disclosed
US-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER INC 2007-07-05 US 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 (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-20060154931-A1 Heteroaromatic quinoline compounds PDE12, PDE7A, PDE4A MAPK9 2386/4885MAPK10 534/4885GAA 129/4885
US-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PDE12, PDE10A, PDE7A MAPK9 1574/4885MAPK10 220/4885GAA 107/4885
US-20080214607-A1 HETEROAROMATIC QUINOLINE COMPOUNDS PDE12, PDE7A, PDE4A MAPK9 2386/4885MAPK10 534/4885GAA 129/4885

“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.