SCHEMBL3270763

SCHEMBL3270763

Cn1nc(-c2ccncc2)c(-c2ccc(O)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 8/20 0.50
▸ MAPK14 Q16539 5/20 0.43
▸ MAPK13 O15264 3/20 0.43
▸ MAPK12 P53778 3/20 0.43
▸ MAPK11 Q15759 3/20 0.43
▸ RAF1 P04049 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP17A1 P05093 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ CSNK1D P48730 2/20 0.42
▸ CSNK1E P49674 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CIT O14578 1/20 0.42
▸ GAK O14976 1/20 0.42
▸ RIPK2 O43353 1/20 0.42
▸ BRD4 O60885 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
SCHEMBL8220878 0.81 ALOX15 (0.50) MAPK14MAPK13MAPK12MAPK11CYP3A4
SCHEMBL25268941 0.81 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL3277198 0.78 KDM4E (0.51) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL3271314 0.78 BRAF (0.74) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL1960709 0.76 MAPT (0.65) CYP3A4CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL8213534 0.75 ESR1 (0.40) CYP19A1
SCHEMBL3272752 0.74 MAPK14 (0.43) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL8214582 0.73 KMT2A (0.40) CYP3A4MAPTMAPK1KDM4EGMNN
SCHEMBL8223557 0.72 ESR1 (0.49) MAPK14CYP3A4MAPTMAPK1KDM4E
SCHEMBL17088198 0.71 BRAF (0.60) BRAFMAPK14MAPK13MAPK12MAPK11

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
CN-102491969-B Heteroaromatic quinoline compounds and the purposes as PDE10 inhibitor thereof PFIZER PRODUCTS INC. (US) 2015-08-19 — — CN disclosed
CN-102491969-A Heteroaromatic quinoline compounds PFIZER PROD INC 2012-06-13 — — CN disclosed
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
CN-101098866-A Heteroaromatic quinoline compounds and their use as pde10 inhibitors PFIZER (US) 2008-01-02 — — CN 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 BRAF 2442/4885MAPK14 3564/4885MAPK13 2697/4885
US-20080214607-A1 HETEROAROMATIC QUINOLINE COMPOUNDS PDE12, PDE7A, PDE4A BRAF 2442/4885MAPK14 3564/4885MAPK13 2697/4885

“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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