SCHEMBL2987100

SCHEMBL2987100

CC1(C)C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)N1Cc1ccncc1C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.41
IGF1R P08069 2/20 0.41
TP53 P04637 2/20 0.40
MDM2 Q00987 2/20 0.40
CHRM4 P08173 5/20 0.39
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MGLL Q99685 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL2937940 0.91 TP53 (0.42) KCNA5TP53MDM2CHRM4LMNA
SCHEMBL2935578 0.91 IGF1R (0.44) IGF1RTP53MDM2PPARGPPARD
SCHEMBL2938973 0.90 IGF1R (0.41) IGF1RPPARGPPARDPPARA
SCHEMBL3733237 0.90 IGF1R (0.42) IGF1RPPARGPPARDPPARA
SCHEMBL2936130 0.88 IGF1R (0.56) IGF1R
SCHEMBL2932136 0.87 IGF1R (0.57) IGF1RTP53MDM2LMNATHRB
SCHEMBL2938005 0.85 IGF1R (0.47) IGF1RPPARGPPARDPPARA
SCHEMBL2936585 0.85 IGF1R (0.45) IGF1RPPARGPPARDPPARA
SCHEMBL2937317 0.83 KCNA5 (0.43) KCNA5TP53MDM2CHRM4LMNA
SCHEMBL2941183 0.83 CHRM4 (0.42) KCNA5IGF1RTP53MDM2CHRM4

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 KCNA5 3789/4885IGF1R 1595/4885TP53 490/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA KCNA5 3168/4885IGF1R 962/4885TP53 744/4885

“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.