SCHEMBL2935161

SCHEMBL2935161

CC1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)N1Cc1ccnc(N2CCN(C)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.44
IGF1R P08069 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CCR6 P51684 1/20 0.40
SMO Q99835 3/20 0.39
TRPV4 Q9HBA0 4/20 0.39
ROS1 P08922 1/20 0.38
ALK Q9UM73 1/20 0.38
NTRK1 P04629 1/20 0.38
HCRTR1 O43613 5/20 0.38
HCRTR2 O43614 5/20 0.38
SCN9A Q15858 1/20 0.38
MCHR1 Q99705 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL2940003 0.92 HCRTR1 (0.44) ABL1IGF1RCCR6SMOHCRTR1
SCHEMBL2935995 0.90 ABL1 (0.44) ABL1IGF1RSMOHCRTR1HCRTR2
SCHEMBL3728162 0.86 IGF1R (0.47) IGF1R
SCHEMBL2938421 0.85 PRKAA2 (0.41) ABL1IGF1RALDH1A1SMOROS1
SCHEMBL2933455 0.83 SMO (0.45) IGF1RSMOHCRTR1HCRTR2CYP3A4
SCHEMBL2935401 0.83 SMO (0.45) IGF1RSMOHCRTR1HCRTR2CYP3A4
SCHEMBL3730580 0.83 KMT2A (0.49) IGF1RALDH1A1ROS1ALK
SCHEMBL2938050 0.82 HCRTR1 (0.50) IGF1RSMOHCRTR1HCRTR2CYP3A4
SCHEMBL2937798 0.82 SMO (0.44) IGF1RSMOHCRTR1HCRTR2CYP3A4
SCHEMBL2941426 0.82 IGF1R (0.45) IGF1RSMONTRK1HCRTR1HCRTR2

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
US-7825115-B2 Cyclic urea compounds, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2010-11-02 US disclosed
EP-1599464-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2010-09-22 EP disclosed
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-08 US disclosed
US-7354933-B2 Protein kinase inhibitors; antitumor agents; such as 5-methyl-1-quinol-4-ylmethyl-3-(4-trifluoromethanesulfonylphenyl)imidazolidine-2,4-dione trifluoroacetate AVENTIS PHARMA SA (FR) 2008-04-08 US disclosed
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2004-12-09 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 (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-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKG1, PRKACA, CMPK1 ABL1 776/4885IGF1R 1595/4885ALDH1A1 3413/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA ABL1 683/4885IGF1R 962/4885ALDH1A1 2827/4885

“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.