SCHEMBL913752

SCHEMBL913752

NC(=O)c1cnc(Cl)cc1NCc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.62
CDK5R1 Q15078 1/20 0.62
RPS6KB1 P23443 3/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
AKT1 P31749 1/20 0.57
JAK3 P52333 3/20 0.52
IRAK4 Q9NWZ3 2/20 0.52
JAK2 O60674 2/20 0.52
JAK1 P23458 1/20 0.52
TYK2 P29597 1/20 0.52
RECQL P46063 1/20 0.51
VNN1 O95497 1/20 0.50
AURKA O14965 1/20 0.50
MKNK2 Q9HBH9 2/20 0.47
CDC7 O00311 1/20 0.47
ROCK2 O75116 1/20 0.47

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
SCHEMBL2480282 0.87 JAK3 (0.67) RPS6KB1KDM4EAKT1JAK3IRAK4
SCHEMBL24363124 0.87 ALDH1A1 (0.53) CDK5CDK5R1RPS6KB1KDM4EALDH1A1
SCHEMBL12280211 0.86 CDC7 (0.53) CDK5CDK5R1RPS6KB1KDM4EAKT1
SCHEMBL2482471 0.84 RPS6KB1 (0.60) CDK5CDK5R1RPS6KB1AKT1JAK3
SCHEMBL12456033 0.82 RPS6KB1 (0.54) CDK5CDK5R1RPS6KB1AKT1JAK3
SCHEMBL2695548 0.82 CDC7 (0.60) CDK5CDK5R1RPS6KB1AKT1JAK3
SCHEMBL2479527 0.82 JAK3 (0.53) RPS6KB1KDM4EGAAMAPTAKT1
SCHEMBL2476348 0.81 JAK3 (0.52) CDK5CDK5R1RPS6KB1AKT1JAK3
SCHEMBL12330858 0.81 JAK3 (0.51) CDK5CDK5R1RPS6KB1AKT1JAK3
SCHEMBL2694894 0.81 JAK3 (0.51) CDK5CDK5R1RPS6KB1AKT1JAK3

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 30 patents — showing the first 20. 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
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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US 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-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 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
US-8575153-B2 Pyridine-3-carboxyamide derivative KOWA COMPANY, LTD. (JP) 2013-11-05 US disclosed
EP-2380877-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE Kowa Company, Ltd. (JP) 2011-10-26 EP disclosed
EP-2380877-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE Kowa Company, Ltd. (JP) 2011-10-26 EP disclosed
CN-102227409-A Pyridine-3-carboxyamide derivative KOWA CO 2011-10-26 CN disclosed
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE KOWA COMPANY, LTD. (JP) 2011-09-29 US disclosed
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE KOWA COMPANY, LTD. (JP) 2011-09-29 US disclosed
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE KOWA COMPANY, LTD. (JP) 2011-09-29 US disclosed
US-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
US-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-09-22 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-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND JAK3, JAK2, JAK1 CDK5 211/4885CDK5R1 292/4885RPS6KB1 1396/4885
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK CDK5 171/4885CDK5R1 411/4885RPS6KB1 837/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 CDK5 81/4885CDK5R1 231/4885RPS6KB1 483/4885
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE JAK3, JAK1, UACA CDK5 397/4885CDK5R1 723/4885RPS6KB1 3316/4885

“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.