SCHEMBL2695609

SCHEMBL2695609

CN(c1cc(Nc2ccc(C3CCOCC3)cc2)ncc1C(N)=O)c1nccn1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 5/20 0.44
▸ JAK3 P52333 6/20 0.42
▸ MAPK10 P53779 4/20 0.41
▸ MAPK9 P45984 3/20 0.41
▸ LCK P06239 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ STAT6 P42226 1/20 0.37
▸ TTK P33981 1/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ MAP4K1 Q92918 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
SCHEMBL2696306 0.83 SYK (0.44) SYKJAK3MAPK10MAPK9LCK
SCHEMBL2696124 0.83 SYK (0.45) SYKJAK3MAPK10MAPK9STAT6
SCHEMBL2695608 0.82 JAK3 (0.51) SYKJAK3MAPK10MAPK9BTK
SCHEMBL2696786 0.82 SYK (0.44) SYKJAK3MAPK10MAPK9STAT6
SCHEMBL2696749 0.82 SYK (0.49) SYKJAK3MAPK10MAPK9LCK
SCHEMBL2696951 0.79 SYK (0.48) SYKJAK3MAPK10MAPK9LCK
SCHEMBL2694470 0.77 JAK3 (0.54) SYKJAK3BTKSTAT6JAK2
SCHEMBL4403243 0.76 SYK (0.52) SYKJAK3CNR2JAK2JAK1
SCHEMBL2697496 0.76 SYK (0.52) SYKJAK3LCKEGFRBTK
SCHEMBL2696747 0.76 JAK3 (0.51) SYKJAK3CNR2JAK2JAK1

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 17/4885JAK3 4/4885MAPK10 260/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK SYK 17/4885JAK3 4/4885MAPK10 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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