SCHEMBL1374096

SCHEMBL1374096

CN(C)CCOc1cc(C(N)=O)c(C(=O)Nc2n[nH]c3c2CN(S(=O)(=O)c2cc(F)cc(F)c2)C3(C)C)cc1-n1cccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.43
NTRK1 P04629 14/20 0.39
PAK4 O96013 4/20 0.39
CDK2 P24941 3/20 0.36
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CCNE1 P24864 1/20 0.35
GSK3B P49841 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
NTRK3 Q16288 2/20 0.35
NTRK2 Q16620 2/20 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
SCHEMBL1885661 0.91 PAK4 (0.35) IGF1RNTRK1PAK4CDK2NTRK3
SCHEMBL1371462 0.91 IGF1R (0.45) IGF1RNTRK1CDK2CCNA2CCNA1
SCHEMBL1372774 0.90 IGF1R (0.47) IGF1RNTRK1PAK4CDK2CDK1
SCHEMBL1373065 0.90 IGF1R (0.44) IGF1RNTRK1PAK4CDK2CDK1
SCHEMBL1374090 0.88 IGF1R (0.44) IGF1RNTRK1PAK4CDK2CDK1
SCHEMBL1373125 0.88 IGF1R (0.47) IGF1RNTRK1PAK4CDK2CDK1
SCHEMBL1371526 0.87 IGF1R (0.48) IGF1RNTRK1PAK4CDK2CDK1
SCHEMBL1372310 0.86 IGF1R (0.46) IGF1RNTRK1PAK4CDK2CDK1
SCHEMBL1886688 0.86 IGF1R (0.46) IGF1RPAK4CDK2CCNA2CCNA1
SCHEMBL1370366 0.85 IGF1R (0.48) IGF1RNTRK1CDK2CCNA2CCNA1

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-20110288088-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.I. (IT) 2011-11-24 US disclosed
US-7968583-B2 Substituted pyrrolo-pyrazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-06-28 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-20110288088-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K5, MAP3K19, MAP3K3 IGF1R 737/4885NTRK1 1363/4885PAK4 66/4885

“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.