SCHEMBL4187469

SCHEMBL4187469

Nc1nccc(-c2cc(C(=O)O)c(Br)[nH]2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.58
CDC7 O00311 11/20 0.58
CDK2 P24941 5/20 0.58
GSK3B P49841 5/20 0.58
CDK1 P06493 4/20 0.58
TAOK1 Q7L7X3 4/20 0.58
CDK9 P50750 4/20 0.58
CCNA2 P20248 2/20 0.58
CCNA1 P78396 2/20 0.58
IKBKB O14920 1/20 0.58
CCNT1 O60563 1/20 0.58
CCNB2 O95067 1/20 0.58
CCNE2 O96020 1/20 0.58
PRKCB P05771 1/20 0.58
CCNB1 P14635 1/20 0.58
CCNE1 P24864 1/20 0.58
CCNB3 Q8WWL7 1/20 0.58
PLK4 O00444 3/20 0.50
MAPK13 O15264 3/20 0.50
DAPK3 O43293 3/20 0.50

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
SCHEMBL4181307 0.89 CDC7 (0.65) JAK2CDC7CDK2GSK3BCDK1
SCHEMBL12313989 0.88 CDC7 (0.54) JAK2CDC7CDK2GSK3BCDK1
SCHEMBL12313995 0.84 JAK2 (0.61) JAK2CDC7CDK2GSK3BCDK1
SCHEMBL3704977 0.82 JAK2 (0.51) JAK2CDC7CDK2GSK3BCDK1
SCHEMBL5321111 0.81 JAK2 (0.56) JAK2CDC7CDK2GSK3BCDK1
Hydrochloric Acid SCHEMBL5492858 0.80 JAK2 (0.55) JAK2CDC7CDK2GSK3BCDK1
SCHEMBL4179435 0.80 CDC7 (0.84) JAK2CDC7CDK2GSK3BCDK1
SCHEMBL13837061 0.79 CDC7 (0.60) JAK2CDC7CDK2GSK3BCDK1
SCHEMBL12095138 0.78 CDC7 (0.82) JAK2CDC7CDK2GSK3BCDK1
SCHEMBL13730888 0.78 JAK2 (0.59) JAK2CDC7CDK2GSK3BCDK1

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 32 patents — showing the first 20. 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-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-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
EP-2699564-B1 SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-12-14 EP 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-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-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-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-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-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-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-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
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
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
CN-101410387-A Pyridyl-and pyrimidinyl-substituted pyrrole-, thiophene-and furan-derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2009-04-15 CN 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
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 (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-20090099221-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS CDK2, CDK1, CDK5 JAK2 18/4885CDC7 294/4885CDK2 1/4885
US-20150218138-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS CDK2, CDK1, CDK5 JAK2 18/4885CDC7 294/4885CDK2 1/4885

“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.