SCHEMBL3269975

SCHEMBL3269975

COc1ccc(-c2nnn(C)c2-c2ccncc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ COMT P21964 1/20 0.47
▸ GABRA1 P14867 4/20 0.46
▸ GABRG2 P18507 4/20 0.46
▸ GABRB3 P28472 4/20 0.46
▸ GABRA3 P34903 4/20 0.46
▸ GABRA2 P47869 4/20 0.46
▸ GABRA5 P31644 3/20 0.44
▸ MAPK14 Q16539 4/20 0.44
▸ TGFBR1 P36897 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ MAPK13 O15264 2/20 0.43
▸ MAPK12 P53778 2/20 0.43
▸ MAPK11 Q15759 2/20 0.43
▸ RAF1 P04049 1/20 0.43
▸ SRC P12931 1/20 0.42
▸ BRAF P15056 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL3272695 1.00 KDM4E (0.49) KDM4EUSP2COMTGABRA1GABRG2
SCHEMBL25224357 0.81 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL3272752 0.81 MAPK14 (0.43) KDM4EMAPK14MAPK13MAPK12MAPK11
SCHEMBL6771371 0.77 SRC (0.62) KDM4EUSP2MAPK14NPC1MAPK13
SCHEMBL19927502 0.76 PTGS2 (0.54) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3277198 0.76 KDM4E (0.51) KDM4EUSP2COMTGABRA1GABRG2
SCHEMBL25269369 0.74 MAPK14 (0.61) KDM4EMAPK14MAPK13MAPK12MAPK11
SCHEMBL14619167 0.74 MAPT (0.51) KDM4ENPC1RAB9A
SCHEMBL29733664 0.74 KDM4E (0.71) KDM4EUSP2NPC1KDRRAB9A
SCHEMBL4094356 0.74 KDM4E (0.71) KDM4EUSP2NPC1KDRRAB9A

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 KDM4E 1059/4885USP2 1864/4885COMT 35/4885
US-20080214607-A1 HETEROAROMATIC QUINOLINE COMPOUNDS PDE12, PDE7A, PDE4A KDM4E 1059/4885USP2 1864/4885COMT 35/4885

“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.

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