SCHEMBL2695699

SCHEMBL2695699

COc1ccc(Nc2cc(N(C)c3ccncn3)c(C(N)=O)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 5/20 0.48
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ TNKS O95271 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ TNKS2 Q9H2K2 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ERBB3 P21860 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ CDK4 P11802 1/20 0.39
▸ MAPK9 P45984 2/20 0.39
▸ MAPK10 P53779 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL2696135 0.86 MAPK9 (0.55) CSF1RSYKMAPK9MAPK10IRAK4
SCHEMBL2694919 0.85 CSF1R (0.47) CSF1RMEN1KMT2AEGFRERBB3
SCHEMBL2696618 0.84 CSF1R (0.49) CSF1RMEN1KMT2AEGFRERBB3
SCHEMBL2692782 0.80 CSF1R (0.44) CSF1RMEN1KMT2APARP1EGFR
SCHEMBL2694449 0.79 CSF1R (0.45) CSF1RMEN1KMT2AEGFRERBB3
SCHEMBL2693804 0.78 CSF1R (0.56) CSF1RMEN1KMT2ASYKMAPK9
SCHEMBL2695705 0.77 JAK3 (0.53) CSF1RMEN1KMT2AIRAK4
SCHEMBL10285385 0.76 CSF1R (0.56) CSF1RMEN1KMT2AEGFRERBB3
SCHEMBL2695612 0.74 CSF1R (0.44) CSF1REGFRERBB3SYKGAA
SCHEMBL2693950 0.74 PDPK1 (0.42) CSF1RMEN1KMT2APARP1EGFR

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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 — — US claimed
EP-2635557-A2 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 — — EP claimed
WO-2012061428-A2 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO 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 1106/4885MEN1 2476/4885KMT2A 1713/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK CSF1R 1106/4885MEN1 2476/4885KMT2A 1713/4885

“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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