SCHEMBL2696124

SCHEMBL2696124

CN(c1cc(Nc2ccc(C3CCOCC3)cc2)ncc1C(N)=O)c1nc2ccccc2n1C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 5/20 0.45
▸ MAP4K1 Q92918 1/20 0.41
▸ MAPK10 P53779 4/20 0.40
▸ MAPK9 P45984 3/20 0.40
▸ STAT6 P42226 1/20 0.40
▸ JAK3 P52333 5/20 0.39
▸ TTK P33981 1/20 0.37
▸ JAK2 O60674 3/20 0.37
▸ JAK1 P23458 3/20 0.37
▸ TYK2 P29597 3/20 0.37
▸ CNR2 P34972 2/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL2696123 0.83 JAK3 (0.48) SYKMAP4K1STAT6JAK3JAK2
SCHEMBL2695609 0.83 SYK (0.44) SYKMAP4K1MAPK10MAPK9STAT6
SCHEMBL2696306 0.80 SYK (0.44) SYKMAP4K1MAPK10MAPK9STAT6
SCHEMBL2696786 0.78 SYK (0.44) SYKMAPK10MAPK9STAT6JAK3
SCHEMBL2696749 0.78 SYK (0.49) SYKMAPK10MAPK9STAT6JAK3
SCHEMBL2696951 0.75 SYK (0.48) SYKMAPK10MAPK9STAT6JAK3
SCHEMBL2694470 0.73 JAK3 (0.54) SYKSTAT6JAK3JAK2JAK1
SCHEMBL4403243 0.73 SYK (0.52) SYKJAK3JAK2JAK1TYK2
SCHEMBL2697496 0.73 SYK (0.52) SYKJAK3JAK2JAK1TYK2
SCHEMBL2696747 0.73 JAK3 (0.51) SYKJAK3JAK2JAK1TYK2

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-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 SYK 17/4885MAP4K1 144/4885MAPK10 260/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK SYK 17/4885MAP4K1 144/4885MAPK10 260/4885

“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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