SCHEMBL3740744

SCHEMBL3740744

CC1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)N1Cc1ccncc1NNC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.42
SMO Q99835 3/20 0.39
GAA P10253 5/20 0.38
TRPV1 Q8NER1 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
F2R P25116 1/20 0.37
TP53 P04637 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
GCGR P47871 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL2942973 0.93 IGF1R (0.43) IGF1RSMOTRPV1F2RTP53
SCHEMBL2933436 0.87 IGF1R (0.42) IGF1RSMOGAAHDAC1LMNA
SCHEMBL2940765 0.86 IGF1R (0.60) IGF1RSMOGAATP53HDAC1
SCHEMBL2939098 0.86 IGF1R (0.45) IGF1RSMOGAATP53GSK3A
SCHEMBL2939367 0.86 IGF1R (0.43) IGF1RSMOGAATRPV1TP53
SCHEMBL2934078 0.85 IGF1R (0.42) IGF1RSMOGAATRPV1TP53
SCHEMBL2941067 0.85 NPC1 (0.46) IGF1RSMOGAATP53
SCHEMBL2937486 0.85 ABL1 (0.40) IGF1RGAATRPV1TP53ALDH1A1
SCHEMBL2941929 0.85 IGF1R (0.39) IGF1RTRPV1TP53ALDH1A1GCGR
SCHEMBL2933360 0.85 IGF1R (0.42) IGF1RSMOTRPV1TP53GSK3A

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-7825115-B2 Cyclic urea compounds, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2010-11-02 US 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 IGF1R 1595/4885SMO 2187/4885GAA 1964/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA IGF1R 962/4885SMO 2697/4885GAA 2768/4885

“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.