SCHEMBL3485853

SCHEMBL3485853

Cc1cccc(C(=O)Nc2n[nH]c3c2CN(C(=O)Nc2c(Cl)cccc2Cl)C3(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.57
PRKCB P05771 5/20 0.57
CDK2 P24941 11/20 0.56
CCNA2 P20248 10/20 0.56
CCNA1 P78396 10/20 0.56
PAK4 O96013 1/20 0.53
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
CCNE1 P24864 1/20 0.50
GSK3B P49841 1/20 0.50
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 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
SCHEMBL1983205 0.92 CDK2 (0.55) NTRK1PRKCBCDK2CCNA2CCNA1
SCHEMBL1983891 0.92 CDK2 (0.55) NTRK1PRKCBCDK2CCNA2CCNA1
SCHEMBL3485973 0.92 CDK2 (0.57) NTRK1PRKCBCDK2CCNA2CCNA1
SCHEMBL3485215 0.92 CDK2 (0.64) NTRK1PRKCBCDK2CCNA2CCNA1
SCHEMBL1982220 0.91 CDK2 (0.54) NTRK1PRKCBCDK2CCNA2CCNA1
SCHEMBL3485314 0.91 CDK2 (0.68) NTRK1PRKCBCDK2CCNA2CCNA1
SCHEMBL1986476 0.91 CDK2 (0.54) NTRK1PRKCBCDK2CCNA2CCNA1
SCHEMBL1983262 0.90 CDK2 (0.53) NTRK1PRKCBCDK2CCNA2CCNA1
SCHEMBL3485260 0.89 CDK2 (0.66) NTRK1PRKCBCDK2CCNA2CCNA1
SCHEMBL1983779 0.87 CDK2 (0.56) NTRK1PRKCBCDK2CCNA2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227472-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-07-24 US claimed
US-20100010008-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-01-14 US claimed
EP-2089394-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2009-08-19 EP claimed
WO-2008043745-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-04-17 WO claimed
US-8623876-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-01-07 US disclosed
US-20120277248-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-11-01 US disclosed
US-8227472-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-07-24 US disclosed
US-20100010008-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-01-14 US disclosed
EP-2089394-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2009-08-19 EP disclosed
WO-2008043745-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-04-17 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-20100010008-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K3, MAP3K15 NTRK1 1290/4885PRKCB 43/4885CDK2 148/4885
US-20120277248-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K3, MAP3K15 NTRK1 1290/4885PRKCB 43/4885CDK2 148/4885

“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.