SCHEMBL2693187

SCHEMBL2693187

CC(=O)Nc1ccc(Nc2cc(N(C)c3cccc4cc[nH]c34)c(C(N)=O)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ MAPK8 P45983 1/20 0.41
▸ PDPK1 O15530 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ SYK P43405 3/20 0.39
▸ PARP1 P09874 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ MAPK9 P45984 2/20 0.37
▸ MAPK10 P53779 2/20 0.37
▸ JAK3 P52333 3/20 0.37
▸ JAK2 O60674 2/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ TYK2 P29597 2/20 0.37
▸ IRAK4 Q9NWZ3 2/20 0.37
▸ PIK3C3 Q8NEB9 1/20 0.37
▸ BRAF P15056 2/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TNIK Q9UKE5 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
SCHEMBL2695618 0.89 SYK (0.44) PDPK1SYKMAPK9MAPK10JAK3
SCHEMBL2695417 0.88 MAPK9 (0.51) SIRT2PDPK1SYKMAPK9MAPK10
SCHEMBL2693950 0.88 PDPK1 (0.42) PDPK1CSF1RSYKPARP1MAPK9
SCHEMBL2696533 0.86 SYK (0.46) PDPK1CSF1RSYKMAPK9MAPK10
SCHEMBL2696012 0.85 CSF1R (0.42) SIRT2MAPK8CSF1RSYKPARP1
SCHEMBL2694155 0.85 SYK (0.47) PDPK1SYKMAPK9MAPK10JAK3
SCHEMBL2697486 0.84 MAPK9 (0.42) PDPK1SYKMAPK9MAPK10JAK3
SCHEMBL2695094 0.84 SYK (0.50) PDPK1SYKJAK3
SCHEMBL2695988 0.81 SIRT2 (0.42) SIRT2MAPK8CSF1RSYKPARP1
SCHEMBL2693181 0.80 JAK3 (0.51) SIRT2MAPK8PDPK1CSF1RJAK3

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 SIRT2 141/4885MAPK8 398/4885PDPK1 118/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK SIRT2 141/4885MAPK8 398/4885PDPK1 118/4885

“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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