SCHEMBL1892212

SCHEMBL1892212

CN(C)c1ccc(C(=O)Nc2n[nH]c3c2CN(S(=O)(=O)c2cc(F)cc(F)c2)CC3(C)C)c(NC(=O)C2CCNCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.44
CCNA2 P20248 6/20 0.43
CDK2 P24941 6/20 0.43
CCNA1 P78396 6/20 0.43
IGF1R P08069 3/20 0.42
PRKCB P05771 2/20 0.38
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNE1 P24864 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
PAK4 O96013 1/20 0.35

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
SCHEMBL1886768 0.94 NTRK1 (0.43) NTRK1CCNA2CDK2CCNA1IGF1R
SCHEMBL1884960 0.93 NTRK1 (0.41) NTRK1CCNA2CDK2CCNA1IGF1R
SCHEMBL2461800 0.92 NTRK1 (0.44) NTRK1CCNA2CDK2CCNA1IGF1R
SCHEMBL1888210 0.91 NTRK1 (0.42) NTRK1CCNA2CDK2CCNA1IGF1R
SCHEMBL1892411 0.90 NTRK1 (0.42) NTRK1CCNA2CDK2CCNA1IGF1R
SCHEMBL1888731 0.90 NTRK1 (0.42) NTRK1CCNA2CDK2CCNA1IGF1R
SCHEMBL1889543 0.90 NTRK1 (0.42) NTRK1CCNA2CDK2CCNA1IGF1R
SCHEMBL1891889 0.89 CCNA2 (0.46) NTRK1CCNA2CDK2CCNA1IGF1R
SCHEMBL1895021 0.89 IGF1R (0.43) NTRK1CCNA2CDK2CCNA1IGF1R
SCHEMBL1892245 0.89 NTRK1 (0.42) NTRK1CCNA2CDK2CCNA1IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230470-A1 SUBSTITUTED PYRAZOLO[4,3-C]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-09-22 US disclosed
US-7947686-B2 Substituted pyrazolo[4,3-c]pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-24 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 (1 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-20110230470-A1 SUBSTITUTED PYRAZOLO[4,3-C]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K3, MAP3K1, MAP3K19 NTRK1 1131/4885CCNA2 1202/4885CDK2 91/4885

“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.