SCHEMBL3485962

SCHEMBL3485962

CC1(C)c2[nH]nc(NC(=O)c3ccccc3)c2CN1C(=O)Cc1c(F)cccc1F

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 15/20 0.73
CDK2 P24941 4/20 0.59
CCNA2 P20248 3/20 0.59
CCNA1 P78396 3/20 0.59
PAK4 O96013 2/20 0.58

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
SCHEMBL3485480 0.92 CCNA2 (0.65) NTRK1CDK2CCNA2CCNA1
SCHEMBL3484573 0.91 PAK4 (0.63) NTRK1CDK2CCNA2CCNA1PAK4
SCHEMBL1985204 0.90 NTRK1 (0.60) NTRK1CDK2CCNA2CCNA1
SCHEMBL1983920 0.90 NTRK1 (0.67) NTRK1CDK2CCNA2CCNA1PAK4
SCHEMBL1982358 0.86 CCNA2 (0.62) NTRK1CDK2CCNA2CCNA1
SCHEMBL1984801 0.86 NTRK1 (0.70) NTRK1CDK2CCNA2CCNA1
SCHEMBL1987489 0.85 CCNA2 (0.61) NTRK1CDK2CCNA2CCNA1PAK4
SCHEMBL3485168 0.85 CCNA2 (0.61) NTRK1CDK2CCNA2CCNA1PAK4
SCHEMBL2919859 0.85 CDK2 (0.68) NTRK1CDK2CCNA2CCNA1PAK4
SCHEMBL28839261 0.85 NTRK1 (1.00) NTRK1

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 1290/4885CDK2 148/4885CCNA2 1698/4885
US-20120277248-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K3, MAP3K15 NTRK1 1290/4885CDK2 148/4885CCNA2 1698/4885

“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.