SCHEMBL2695738

SCHEMBL2695738

Cc1cc(Nc2cc(N(C)c3cccc4cc[nH]c34)c(C(N)=O)cn2)ccc1C(=O)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ JAK2 O60674 7/20 0.38
▸ JAK1 P23458 7/20 0.38
▸ GRM5 P41594 2/20 0.37
▸ CAMK1D Q8IU85 2/20 0.37
▸ NUAK1 O60285 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 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
SCHEMBL2696111 0.98 CNR2 (0.41) CNR2CNR1JAK2JAK1GRM5
SCHEMBL2694895 0.88 CNR2 (0.39) CNR2CNR1JAK2JAK1GRM5
SCHEMBL2697486 0.87 MAPK9 (0.42) JAK2JAK1CAMK1DMAPK9MAPK10
SCHEMBL2695772 0.86 CNR2 (0.39) CNR2CNR1JAK2JAK1GRM5
SCHEMBL2695737 0.83 JAK3 (0.43) CNR2CNR1JAK2JAK1
SCHEMBL2692585 0.83 IRAK4 (0.38) CNR2CNR1GRM5CAMK1DNUAK1
SCHEMBL2696104 0.81 JAK3 (0.43) CNR2CNR1JAK2JAK1
SCHEMBL2693894 0.81 KDM4E (0.44) CNR2CNR1JAK2JAK1KDM4E
SCHEMBL2695417 0.81 MAPK9 (0.51) JAK2JAK1CAMK1DMAPK9MAPK10
SCHEMBL2693187 0.80 SIRT2 (0.42) JAK2JAK1MAPK9MAPK10

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 CNR2 946/4885CNR1 1109/4885JAK2 1/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK CNR2 946/4885CNR1 1109/4885JAK2 1/4885

“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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