SCHEMBL1370799

SCHEMBL1370799

COc1ccc(CNc2nc(N3CCOCC3)ccc2C(=O)Nc2n[nH]c3c2CN(S(=O)(=O)c2cc(F)cc(F)c2)C3(C)C)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.45
NTRK1 P04629 14/20 0.44
NTRK3 Q16288 5/20 0.44
NTRK2 Q16620 5/20 0.44
PDE4B Q07343 1/20 0.39
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL1375194 0.89 IGF1R (0.45) IGF1RNTRK1NTRK3NTRK2CCNA2
SCHEMBL1374680 0.82 IGF1R (0.52) IGF1RNTRK1NTRK3NTRK2CCNA2
SCHEMBL1371469 0.78 IGF1R (0.49) IGF1RNTRK1NTRK3NTRK2CCNA2
SCHEMBL1372583 0.78 IGF1R (0.52) IGF1RNTRK1NTRK3NTRK2CCNA2
SCHEMBL4288025 0.77 IGF1R (0.52) IGF1RNTRK1NTRK3NTRK2CCNA2
SCHEMBL4278038 0.77 NTRK1 (0.56) IGF1RNTRK1NTRK3NTRK2CCNA2
SCHEMBL1372764 0.77 IGF1R (0.47) IGF1RNTRK1NTRK3NTRK2CCNA2
SCHEMBL12640248 0.76 IGF1R (0.52) IGF1RNTRK1NTRK3NTRK2CCNA2
SCHEMBL4278208 0.76 NTRK1 (0.70) IGF1RNTRK1NTRK3NTRK2CCNA2
SCHEMBL1371236 0.75 NTRK1 (0.51) IGF1RNTRK1NTRK3NTRK2

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 6 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-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
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 (2 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 1363/4885NTRK3 1220/4885
US-20110288088-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K5, MAP3K19, MAP3K3 IGF1R 737/4885NTRK1 1363/4885NTRK3 1220/4885

“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.