SCHEMBL4174133

SCHEMBL4174133

NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1cccc(Br)c1F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 10/20 0.69
JAK2 O60674 14/20 0.68
CDK1 P06493 4/20 0.68
CDK2 P24941 4/20 0.68
GSK3B P49841 4/20 0.68
TAOK1 Q7L7X3 4/20 0.68
PLK4 O00444 3/20 0.68
MAPK13 O15264 3/20 0.68
DAPK3 O43293 3/20 0.68
DYRK3 O43781 3/20 0.68
PRKD3 O94806 3/20 0.68
PRKCG P05129 3/20 0.68
PRKACA P17612 3/20 0.68
MARK3 P27448 3/20 0.68
MAPK1 P28482 3/20 0.68
FRK P42685 3/20 0.68
MAPK8 P45983 3/20 0.68
MAPK9 P45984 3/20 0.68
CSNK1A1 P48729 3/20 0.68
CSNK1D P48730 3/20 0.68

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
SCHEMBL27759271 0.91 CDC7 (0.60) CDC7JAK2CDK1CDK2GSK3B
SCHEMBL4187171 0.89 CDC7 (0.72) CDC7JAK2CDK1CDK2GSK3B
SCHEMBL1208631 0.89 CDC7 (0.72) CDC7JAK2CDK1CDK2GSK3B
SCHEMBL4177154 0.89 JAK2 (0.76) CDC7JAK2CDK1CDK2GSK3B
Hydrochloric Acid SCHEMBL1208337 0.88 CDC7 (0.70) CDC7JAK2CDK1CDK2GSK3B
SCHEMBL4187433 0.88 JAK2 (0.81) CDC7JAK2CDK1CDK2GSK3B
SCHEMBL4190447 0.88 JAK2 (0.74) CDC7JAK2CDK1CDK2GSK3B
SCHEMBL4181919 0.88 JAK2 (0.80) CDC7JAK2CDK1CDK2GSK3B
SCHEMBL4183432 0.88 JAK2 (0.81) CDC7JAK2CDK1CDK2GSK3B
SCHEMBL1207918 0.86 JAK2 (0.69) CDC7JAK2CDK1CDK2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150218138-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-08-06 US claimed
EP-2004623-B1 PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-09 EP claimed
US-8263604-B2 Pyridyl- and pyrimidinyl-substituted pyrrole-, thiophene- and furane-derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-09-11 US claimed
US-20090099221-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-04-16 US claimed
EP-2004623-A1 PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2008-12-24 EP claimed
WO-2007110344-A1 PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-10-04 WO claimed
US-9670191-B2 Pyridyl-and pyrimidinyl-substituted pyrrole-, thiophene- and furane-derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-06-06 US disclosed
US-20150218138-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-08-06 US disclosed
US-9056854-B2 Pyridyl- and pyrimidinyl-substituted pyrrole-, thiophene- and furane-derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-06-16 US disclosed
US-20150051237-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-02-19 US disclosed
US-8906934-B2 Pyridyl-and pyrimidinyl-substituted pyrrole-, thiophene-and furane-derivatives as kinase inhibitors Nerviano Medical Science S.R.L. (IT) 2014-12-09 US disclosed
EP-2004623-B1 PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-09 EP disclosed
US-20120295906-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-11-22 US disclosed
US-8263604-B2 Pyridyl- and pyrimidinyl-substituted pyrrole-, thiophene- and furane-derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-09-11 US disclosed
US-20090099221-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-04-16 US disclosed
EP-2004623-A1 PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2008-12-24 EP disclosed
WO-2007110344-A1 PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-10-04 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-20150051237-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS CDK2, CDK1, CDK5 CDC7 294/4885JAK2 18/4885CDK1 2/4885
US-20090099221-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS CDK2, CDK1, CDK5 CDC7 294/4885JAK2 18/4885CDK1 2/4885
US-20120295906-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS CDK2, CDK1, CDK5 CDC7 294/4885JAK2 18/4885CDK1 2/4885
US-20150218138-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS CDK2, CDK1, CDK5 CDC7 294/4885JAK2 18/4885CDK1 2/4885

“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.