SCHEMBL2696074

SCHEMBL2696074

CN(c1cc(Nc2ccc(C3CCN(CC#N)CC3)cc2)ncc1C(N)=O)c1cccc2[nH]ccc12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 8/20 0.41
▸ JAK2 O60674 13/20 0.39
▸ JAK1 P23458 5/20 0.39
▸ PTK2 Q05397 6/20 0.38
▸ STAT6 P42226 1/20 0.37
▸ INSR P06213 1/20 0.37
▸ SYK P43405 2/20 0.36
▸ TYK2 P29597 2/20 0.35
▸ MAP4K1 Q92918 1/20 0.35

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
SCHEMBL2695189 0.88 JAK3 (0.55) JAK3JAK2JAK1STAT6SYK
SCHEMBL2695788 0.87 JAK3 (0.41) JAK3JAK2JAK1PTK2STAT6
SCHEMBL2695244 0.85 JAK3 (0.45) JAK3JAK2JAK1STAT6SYK
SCHEMBL2696072 0.84 JAK3 (0.49) JAK3JAK2JAK1STAT6TYK2
SCHEMBL2693724 0.83 JAK3 (0.46) JAK3JAK2JAK1SYKTYK2
SCHEMBL2695356 0.81 JAK3 (0.40) JAK3JAK2JAK1STAT6SYK
SCHEMBL2695525 0.79 CSF1R (0.41) JAK3JAK2JAK1SYKTYK2
SCHEMBL2696012 0.79 CSF1R (0.42) JAK3JAK2JAK1SYKTYK2
SCHEMBL2695483 0.79 SYK (0.48) JAK3SYK
SCHEMBL2695995 0.79 SYK (0.51) JAK3JAK2JAK1SYK

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 JAK3 4/4885JAK2 1/4885JAK1 2/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK JAK3 4/4885JAK2 1/4885JAK1 2/4885

“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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