SCHEMBL3456901

SCHEMBL3456901

CC(C)(C)C(=O)N1Cc2c(NC(=O)c3ccc(F)cc3)n[nH]c2C1(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 1.00
CCNA2 P20248 16/20 1.00
CCNA1 P78396 16/20 1.00
CDK1 P06493 1/20 0.81
CCNB1 P14635 1/20 0.81
CCNE1 P24864 1/20 0.81
GSK3B P49841 1/20 0.81
CDK5 Q00535 1/20 0.81
CDK5R1 Q15078 1/20 0.81
NTRK1 P04629 3/20 0.62
PAK4 O96013 1/20 0.59

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
SCHEMBL13906194 0.90 CCNA2 (0.81) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL13906188 0.89 CDK2 (0.80) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL2915893 0.88 CDK2 (0.80) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL2916420 0.87 CDK2 (0.77) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL5110745 0.84 CCNA2 (0.72) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL13914858 0.82 CDK2 (0.69) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL2919859 0.81 CDK2 (0.68) CDK2CCNA2CCNA1NTRK1PAK4
SCHEMBL2916796 0.81 CDK2 (0.68) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL3485206 0.81 CDK2 (0.67) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL3457234 0.80 CCNA2 (0.73) CDK2CCNA2CCNA1NTRK1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266987-B1 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2017-05-17 EP claimed
US-8557857-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-10-15 US claimed
US-20130017170-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-01-17 US claimed
US-20130012507-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-01-10 US claimed
EP-2266987-A1 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors Pfizer Italia S.r.l. (IT) 2010-12-29 EP claimed
US-20090082346-A1 Substituted Pyrrolo-Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2009-03-26 US claimed
WO-2023009833-A9 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-11-23 WO disclosed
EP-2266987-B1 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2017-05-17 EP disclosed
EP-1575954-B1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-08-03 EP disclosed
US-8785448-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-07-22 US disclosed
US-8785448-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-07-22 US disclosed
US-20130344031-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-12-26 US disclosed
US-8557857-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-10-15 US disclosed
US-7407971-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2008-08-05 US disclosed
US-7407971-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2008-08-05 US disclosed
US-20070004705-A1 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-01-04 US disclosed
US-20070004705-A1 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-01-04 US disclosed
US-20070004705-A1 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-01-04 US disclosed
EP-1575954-A2 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2005-09-21 EP disclosed
WO-2004056827-A2 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2004-07-08 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 (5 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-20070004705-A1 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors CCNI, CDK1, CDK2 CDK2 3/4885CCNA2 117/4885CCNA1 41/4885
US-20130344031-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS CCNI, CDK1, CDK2 CDK2 3/4885CCNA2 117/4885CCNA1 41/4885
US-20130012507-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS CCNI, CDK1, CDK2 CDK2 3/4885CCNA2 117/4885CCNA1 41/4885
US-20090082346-A1 Substituted Pyrrolo-Pyrazole Derivatives as Kinase Inhibitors CCNI, CDK1, CDK2 CDK2 3/4885CCNA2 117/4885CCNA1 41/4885
US-20130017170-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS CCNI, CDK1, CDK2 CDK2 3/4885CCNA2 117/4885CCNA1 41/4885

“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.