SCHEMBL913751

SCHEMBL913751

CN(c1cccnc1)c1cc(Cl)ncc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 7/20 0.44
▸ MKNK2 Q9HBH9 7/20 0.44
▸ GRM5 P41594 3/20 0.43
▸ SYK P43405 1/20 0.40
▸ PDE4B Q07343 1/20 0.39
▸ SIRT3 Q9NTG7 2/20 0.39
▸ F7 P08709 1/20 0.39
▸ F3 P13726 1/20 0.39
▸ SARM1 Q6SZW1 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.39
▸ SIRT4 Q9Y6E7 1/20 0.39
▸ CSF1R P07333 1/20 0.38
▸ ADRA1D P25100 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37

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
SCHEMBL3714860 0.76 KCNA5 (0.49) MKNK1MKNK2GRM5SYKSIRT3
SCHEMBL8685760 0.75 GRIK1 (0.48) GRM5
SCHEMBL913066 0.75 ATR (0.43) GRM5CSF1RCDK5CDK5R1
SCHEMBL2692918 0.74 NNMT (0.36) PDE4BSIRT6TDP1
SCHEMBL2713874 0.73 ALDH1A1 (0.40) PDE4BCSF1R
SCHEMBL913752 0.71 CDK5 (0.62) MKNK1MKNK2ADRA1DCDK5CDK5R1
SCHEMBL16295458 0.71 NOTUM (0.50) GRM5SIRT3F7F3SARM1
SCHEMBL2497244 0.70 RPS6KB1 (0.49) SIRT2TDP1
SCHEMBL2713930 0.69 OPRM1 (0.39) SYK
SCHEMBL28293629 0.69 CHKA (0.45) GRM5

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 11 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
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 — — US disclosed
EP-2635557-A2 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 — — EP disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 — — US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 — — US 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
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 — — US disclosed
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 — — WO 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 (4 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-20130137673-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 MKNK1 288/4885MKNK2 247/4885GRM5 2587/4885
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK MKNK1 463/4885MKNK2 467/4885GRM5 2563/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 MKNK1 288/4885MKNK2 247/4885GRM5 2587/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK MKNK1 463/4885MKNK2 467/4885GRM5 2563/4885

“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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