SCHEMBL4190464

SCHEMBL4190464

Nc1nccc(-c2cc(C(=O)O)c(-c3c(F)cccc3F)[nH]2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 13/20 0.60
JAK2 O60674 11/20 0.60
CDK1 P06493 4/20 0.60
CDK2 P24941 4/20 0.60
GSK3B P49841 4/20 0.60
TAOK1 Q7L7X3 4/20 0.60
CDK9 P50750 3/20 0.60
IKBKB O14920 1/20 0.60
CCNT1 O60563 1/20 0.60
CCNB2 O95067 1/20 0.60
CCNE2 O96020 1/20 0.60
PRKCB P05771 1/20 0.60
CCNB1 P14635 1/20 0.60
CCNA2 P20248 1/20 0.60
CCNE1 P24864 1/20 0.60
CCNA1 P78396 1/20 0.60
CCNB3 Q8WWL7 1/20 0.60
PLK4 O00444 3/20 0.55
MAPK13 O15264 3/20 0.55
DAPK3 O43293 3/20 0.55

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
SCHEMBL4768197 0.91 CDC7 (0.69) CDC7JAK2CDK1CDK2GSK3B
SCHEMBL13836559 0.88 CDC7 (0.60) CDC7JAK2CDK1CDK2GSK3B
SCHEMBL4190177 0.87 JAK2 (0.63) CDC7JAK2CDK1CDK2GSK3B
SCHEMBL4194237 0.84 JAK2 (0.52) CDC7JAK2CDK1CDK2GSK3B
SCHEMBL4179435 0.83 CDC7 (0.84) CDC7JAK2CDK1CDK2GSK3B
SCHEMBL13837219 0.82 JAK2 (0.67) CDC7JAK2CDK1CDK2GSK3B
SCHEMBL27738514 0.81 JAK2 (0.68) CDC7JAK2CDK1CDK2GSK3B
SCHEMBL12095138 0.81 CDC7 (0.82) CDC7JAK2CDK1CDK2GSK3B
SCHEMBL13730888 0.80 JAK2 (0.59) CDC7JAK2CDK1CDK2GSK3B
SCHEMBL4183257 0.80 JAK2 (0.84) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.