SCHEMBL2692918

SCHEMBL2692918

CN(c1cccs1)c1cc(Cl)ncc1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ NEK2 P51955 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ LTC4S Q16873 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ MAPK8 P45983 2/20 0.33
▸ SIRT6 Q8N6T7 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ CHEK2 O96017 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ PTK2 Q05397 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ CDC7 O00311 1/20 0.32
▸ RORC P51449 1/20 0.32

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
SCHEMBL913751 0.74 MKNK1 (0.44) TDP1PDE4BSIRT6
SCHEMBL2695378 0.74 DYRK3 (0.44) PDE4BALDH1A1FYN
SCHEMBL2497244 0.70 RPS6KB1 (0.49) NNMTTDP1ALDH1A1
SCHEMBL2694831 0.70 SYK (0.54) —
SCHEMBL2692922 0.69 CISD1 (0.54) MAPK8ALDH1A1HSD17B10
SCHEMBL28462165 0.68 KDM4E (0.41) SIRT6ALDH1A1CHEK1CHEK2
SCHEMBL29127251 0.68 TYK2 (0.49) —
SCHEMBL30664051 0.68 TYK2 (0.49) —
SCHEMBL2713874 0.68 ALDH1A1 (0.40) NNMTPDE4BALDH1A1PARP1
SCHEMBL28880138 0.67 CCR2 (0.33) TDP1GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NNMT 11/4885TDP1 1627/4885PDE4B 1269/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK NNMT 11/4885TDP1 1627/4885PDE4B 1269/4885

“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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