SCHEMBL2695399

SCHEMBL2695399

COc1ccc(Nc2cc(N(C)c3cccc4ccn(C)c34)c(C(N)=O)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 3/20 0.41
▸ CCNA2 P20248 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ TTK P33981 2/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ SYK P43405 2/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ PDE4B Q07343 6/20 0.38
▸ PDE4A P27815 2/20 0.38
▸ PDE4C Q08493 2/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ EGFR P00533 1/20 0.37
▸ ERBB3 P21860 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL2695542 0.88 MAPK9 (0.50) TTKFGFR1SRCSYKMAPK9
SCHEMBL2694986 0.86 CSF1R (0.43) CSF1RCCNA2CDK2TTKFGFR1
SCHEMBL2693950 0.81 PDPK1 (0.42) CSF1RCCNA2CDK2TTKPARP1
SCHEMBL2695403 0.81 JAK3 (0.49) CSF1RCCNA2CDK2TTKSYK
SCHEMBL2696618 0.80 CSF1R (0.49) CSF1RSYKMAPK9MAPK10PDE4B
SCHEMBL2692782 0.78 CSF1R (0.44) CSF1RPARP1SYKMAPK9MAPK10
SCHEMBL2695612 0.78 CSF1R (0.44) CSF1RSYKPDE4BEGFRERBB3
SCHEMBL2694919 0.76 CSF1R (0.47) CSF1RSYKMAPK9MAPK10PDE4B
SCHEMBL2693804 0.74 CSF1R (0.56) CSF1RSYKMAPK9MAPK10PDE4B
SCHEMBL2695699 0.74 CSF1R (0.48) CSF1RPARP1SYKMAPK9MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 — — US claimed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 — — US claimed
EP-2975027-A1 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2016-01-20 — — EP disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 — — US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 — — US disclosed
EP-2635557-A2 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 — — EP disclosed
WO-2012061428-A2 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 — — US 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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK CSF1R 1106/4885CCNA2 1943/4885CDK2 168/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK CSF1R 1106/4885CCNA2 1943/4885CDK2 168/4885

“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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