SCHEMBL3277198

SCHEMBL3277198

COc1ccc(-c2nn(C)nc2-c2ccncc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ SRC P12931 1/20 0.50
▸ BRAF P15056 1/20 0.50
▸ KDR P35968 1/20 0.50
▸ TGFBR1 P36897 1/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ MAPK14 Q16539 3/20 0.48
▸ MAPK13 O15264 2/20 0.48
▸ MAPK12 P53778 2/20 0.48
▸ MAPK11 Q15759 2/20 0.48
▸ RAF1 P04049 1/20 0.48
▸ RAB9A P51151 2/20 0.47
▸ ALOX5 P09917 1/20 0.47
▸ GCGR P47871 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46

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
SCHEMBL8218208 0.84 KDM4E (0.61) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL14298815 0.82 MEN1 (0.45) KDM4ENPC1RAB9ACYP1A2CYP2C9
SCHEMBL4094356 0.80 KDM4E (0.71) KDM4EUSP2KDRNPC1RAB9A
SCHEMBL29733664 0.80 KDM4E (0.71) KDM4EUSP2KDRNPC1RAB9A
SCHEMBL8221922 0.80 GABRA1 (0.46) KDRNPC1RAB9AHPGDMEN1
SCHEMBL25268941 0.78 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL3270763 0.78 BRAF (0.50) KDM4EUSP2BRAFMAPK14MAPK13
SCHEMBL8207607 0.78 PDE10A (0.54) KDM4EUSP2NPC1RAB9ACYP1A2
SCHEMBL8205594 0.77 GABRA1 (0.47) KDM4ENPC1RAB9AHPGDSMN1; SMN2
SCHEMBL3272695 0.76 KDM4E (0.49) KDM4EUSP2SRCBRAFKDR

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 1864/4885SRC 4244/4885
US-20080214607-A1 HETEROAROMATIC QUINOLINE COMPOUNDS PDE12, PDE7A, PDE4A KDM4E 1059/4885USP2 1864/4885SRC 4244/4885

“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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