SCHEMBL2694914

SCHEMBL2694914

CN(C)C(=O)c1ccc(Nc2cc(N(C)c3cncc(F)c3)c(C(N)=O)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 2/20 0.52
▸ MAPK10 P53779 2/20 0.52
▸ SYK P43405 4/20 0.45
▸ CYP1A2 P05177 4/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ USP2 O75604 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ JAK2 O60674 3/20 0.44
▸ JAK1 P23458 3/20 0.44
▸ TYK2 P29597 3/20 0.44
▸ CLK4 Q9HAZ1 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ AURKA O14965 1/20 0.41
▸ IRAK4 Q9NWZ3 3/20 0.41
▸ JAK3 P52333 3/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL2696692 0.90 JAK2 (0.41) MAPK9MAPK10SYKJAK2JAK1
SCHEMBL2693252 0.89 JAK1 (0.44) MAPK9MAPK10SYKCYP1A2CYP3A4
SCHEMBL2695647 0.89 MAPK9 (0.42) MAPK9MAPK10SYKCYP1A2CYP3A4
SCHEMBL2697897 0.89 SIRT2 (0.43) MAPK9MAPK10SYKJAK2JAK1
SCHEMBL2697557 0.87 SYK (0.46) MAPK9MAPK10SYKJAK2JAK1
SCHEMBL2693081 0.87 CSF1R (0.40) MAPK9MAPK10SYKJAK2JAK1
SCHEMBL2694449 0.87 CSF1R (0.45) MAPK9MAPK10SYKJAK2JAK1
SCHEMBL2697293 0.86 CSF1R (0.39) MAPK9MAPK10JAK2JAK1TYK2
SCHEMBL2695812 0.85 SYK (0.47) MAPK9MAPK10SYKJAK2JAK1
SCHEMBL2692617 0.85 IRAK4 (0.44) MAPK9MAPK10JAK2JAK1TYK2

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 MAPK9 124/4885MAPK10 260/4885SYK 17/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK MAPK9 124/4885MAPK10 260/4885SYK 17/4885

“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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