SCHEMBL4288017

SCHEMBL4288017

CNCC(=O)Nc1cc(N(C)C)ccc1C(=O)Nc1n[nH]c2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)C2(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 13/20 0.51
IGF1R P08069 2/20 0.51
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCNA1 P78396 2/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNE1 P24864 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
PAK4 O96013 2/20 0.41
PRKCB P05771 1/20 0.39
NTRK3 Q16288 2/20 0.39
NTRK2 Q16620 2/20 0.39

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
SCHEMBL4288051 0.92 NTRK1 (0.52) NTRK1IGF1RCCNA2CDK2CCNA1
SCHEMBL4286776 0.92 NTRK1 (0.52) NTRK1IGF1RCCNA2CDK2CCNA1
SCHEMBL1374632 0.89 IGF1R (0.53) NTRK1IGF1RCCNA2CDK2CCNA1
SCHEMBL1372372 0.86 NTRK1 (0.53) NTRK1IGF1RCCNA2CDK2CCNA1
SCHEMBL4285829 0.86 NTRK1 (0.53) NTRK1IGF1RCCNA2CDK2CCNA1
SCHEMBL4285178 0.86 IGF1R (0.60) NTRK1IGF1RNTRK3NTRK2
SCHEMBL1372002 0.85 IGF1R (0.69) NTRK1IGF1RCCNA2CDK2CCNA1
SCHEMBL1373122 0.85 IGF1R (0.54) NTRK1IGF1RCCNA2CDK2CCNA1
SCHEMBL1373232 0.85 IGF1R (0.53) NTRK1IGF1RCCNA2CDK2CCNA1
SCHEMBL4282616 0.85 NTRK1 (0.55) NTRK1IGF1RCCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1999131-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-23 EP claimed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 US claimed
US-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 US disclosed
EP-1999131-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-23 EP disclosed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 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-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS MAP3K19, CDK2, MAP3K1 NTRK1 1106/4885IGF1R 530/4885CCNA2 283/4885

“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.