SCHEMBL12640398

SCHEMBL12640398

CC1(C)c2[nH]nc(NC(=O)c3ccccc3NC=O)c2CN1S(=O)(=O)c1cc(F)cc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.55
NTRK1 P04629 14/20 0.49
CCNA2 P20248 2/20 0.46
CDK2 P24941 2/20 0.46
CCNA1 P78396 2/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNE1 P24864 1/20 0.46
GSK3B P49841 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
PAK4 O96013 1/20 0.44
PRKCB P05771 2/20 0.44

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
SCHEMBL12640064 0.92 IGF1R (0.56) IGF1RNTRK1CCNA2CDK2CCNA1
SCHEMBL1372274 0.89 IGF1R (0.55) IGF1RNTRK1CCNA2CDK2CCNA1
SCHEMBL1374833 0.88 IGF1R (0.55) IGF1RNTRK1CCNA2CDK2CCNA1
SCHEMBL12640248 0.88 IGF1R (0.52) IGF1RNTRK1CCNA2CDK2CCNA1
SCHEMBL4281949 0.87 IGF1R (0.55) IGF1RNTRK1CCNA2CDK2CCNA1
SCHEMBL1374632 0.86 IGF1R (0.53) IGF1RNTRK1CCNA2CDK2CCNA1
SCHEMBL1372561 0.86 IGF1R (0.55) IGF1RNTRK1PRKCB
SCHEMBL1371665 0.85 IGF1R (0.56) IGF1RNTRK1CCNA2CDK2CCNA1
SCHEMBL1375079 0.85 IGF1R (0.53) IGF1RNTRK1CCNA2CDK2CCNA1
SCHEMBL1371536 0.85 IGF1R (0.56) IGF1RNTRK1CCNA2CDK2CCNA1

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-7968583-B2 Substituted pyrrolo-pyrazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-06-28 US disclosed
US-20090163503-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-06-25 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-20090163503-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K5, MAP3K19, MAP3K3 IGF1R 737/4885NTRK1 1363/4885CCNA2 1504/4885

“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.