SCHEMBL1130561

SCHEMBL1130561

CC1(C)CN(C(=O)CN2CCC(F)(F)CC2)c2cc(N3C(=O)N(Cc4ccnc5ccccc45)C(C)(C)C3=O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 9/20 0.49
BIRC2 Q13490 8/20 0.35
XIAP P98170 8/20 0.35
ADAM17 P78536 1/20 0.34
ROCK1 Q13464 1/20 0.32

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
SCHEMBL1130711 0.93 IGF1R (0.49) IGF1RBIRC2XIAPADAM17ROCK1
SCHEMBL1130513 0.92 IGF1R (0.49) IGF1RBIRC2XIAPADAM17ROCK1
SCHEMBL1130160 0.91 IGF1R (0.48) IGF1RBIRC2XIAPROCK1
SCHEMBL1129896 0.91 IGF1R (0.46) IGF1RBIRC2XIAPADAM17ROCK1
SCHEMBL1130340 0.91 IGF1R (0.48) IGF1RBIRC2XIAP
SCHEMBL1131000 0.89 IGF1R (0.46) IGF1RBIRC2XIAPROCK1
SCHEMBL1130544 0.86 IGF1R (0.46) IGF1RBIRC2XIAP
SCHEMBL1130543 0.86 IGF1R (0.46) IGF1RBIRC2XIAP
SCHEMBL1130540 0.86 IGF1R (0.46) IGF1RBIRC2XIAP
SCHEMBL1131083 0.86 IGF1R (0.45) IGF1RBIRC2XIAP

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-1773808-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2011-02-16 EP disclosed
US-7759379-B2 Cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2010-07-20 US disclosed
US-20080004300-A1 Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2008-01-03 US disclosed
EP-1773808-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2007-04-18 EP disclosed
WO-2006010641-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2006-02-02 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-20080004300-A1 Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors CDK2, CDK1, PRKAR2B IGF1R 446/4885BIRC2 3233/4885XIAP 2104/4885

“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.