SCHEMBL4284554

SCHEMBL4284554

CC1(C)c2[nH]nc(NC(=O)c3ccc(OCCN4CCCC4)cc3N)c2CN1S(=O)(=O)c1cc(F)cc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.50
PRKCB P05771 7/20 0.42
CCNA2 P20248 4/20 0.42
CDK2 P24941 4/20 0.42
CCNA1 P78396 4/20 0.42
NTRK1 P04629 8/20 0.41
NTRK3 Q16288 3/20 0.40
NTRK2 Q16620 3/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNE1 P24864 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40

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
SCHEMBL4284551 0.92 IGF1R (0.49) IGF1RPRKCBCCNA2CDK2CCNA1
SCHEMBL4289554 0.89 IGF1R (0.48) IGF1RPRKCBCCNA2CDK2CCNA1
SCHEMBL1372269 0.88 INSR (0.48) IGF1RPRKCBCCNA2CDK2CCNA1
SCHEMBL1371216 0.88 IGF1R (0.64) IGF1RPRKCBCCNA2CDK2CCNA1
SCHEMBL1370760 0.88 IGF1R (0.49) IGF1RPRKCBCCNA2CDK2CCNA1
SCHEMBL1371459 0.87 IGF1R (0.52) IGF1RPRKCBCCNA2CDK2CCNA1
SCHEMBL1372583 0.87 IGF1R (0.52) IGF1RPRKCBCCNA2CDK2CCNA1
SCHEMBL4292201 0.84 IGF1R (0.55) IGF1RPRKCBCCNA2CDK2CCNA1
SCHEMBL4284393 0.84 IGF1R (0.54) IGF1RPRKCBCCNA2CDK2CCNA1
SCHEMBL4283352 0.84 IGF1R (0.52) IGF1RPRKCBCCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461193-B2 Substituted pyrrolo-pyrazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-06-11 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
EP-1963326-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-09-03 EP disclosed
WO-2007068637-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-06-21 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 (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 737/4885PRKCB 46/4885CCNA2 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.