SCHEMBL4885935

SCHEMBL4885935

CC1(C)C(=O)N(c2ccc(Sc3ccc(F)cc3)cc2)C(=O)[N+]1(Cc1ccncc1)OC(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 12/20 0.39
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RORC P51449 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
TRIP13 Q15645 1/20 0.30

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
SCHEMBL3727464 0.90 IGF1R (0.41) IGF1RCYP3A4CYP2C9CYP2C19TRIP13
SCHEMBL3737891 0.88 IGF1R (0.39) IGF1RCYP3A4CYP2C9CYP2C19TRIP13
SCHEMBL3734617 0.84 IGF1R (0.37) IGF1RALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4879679 0.83 NR1H2 (0.36) IGF1RALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4884670 0.83 IGF1R (0.34) IGF1RALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4884585 0.82 IGF1R (0.36) IGF1RALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4884428 0.82 IGF1R (0.33) IGF1RCYP3A4CYP2C9CYP2C19LMNA
SCHEMBL4890256 0.81 NAMPT (0.40) IGF1RALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3729237 0.81 DRD2 (0.36) IGF1RALDH1A1
SCHEMBL4882154 0.80 IGF1R (0.32) IGF1R

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-1621535-A1 Substituted cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors Aventis Pharma S.A. (FR) 2006-02-01 EP claimed
US-20080021029-A1 Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2008-01-24 US disclosed
EP-1773809-A1 SUBSTITUTED CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2007-04-18 EP disclosed
WO-2006010643-A1 SUBSTITUTED CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2006-02-02 WO disclosed
EP-1621535-A1 Substituted cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors Aventis Pharma S.A. (FR) 2006-02-01 EP 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-20080021029-A1 Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors PRKAR2B, PRKG2, PRKG1 IGF1R 878/4885ALDH1A1 3245/4885CYP1A2 1555/4885

“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.