SCHEMBL2940994

SCHEMBL2940994

COc1ccc(-c2cnccc2CN2C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)C2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.43
CACNA1B Q00975 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.37
HCRTR1 O43613 8/20 0.36
HCRTR2 O43614 8/20 0.36
SMO Q99835 2/20 0.36
CYP3A4 P08684 1/20 0.36
MCHR1 Q99705 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL2931614 0.93 IGF1R (0.43) IGF1RCACNA1BHCRTR1HCRTR2SMO
SCHEMBL2934336 0.92 SMO (0.47) IGF1RCACNA1BMAPTHCRTR1HCRTR2
SCHEMBL2942192 0.92 IGF1R (0.47) IGF1RCYP11B1CYP11B2TP53HCRTR1
SCHEMBL2939789 0.89 IGF1R (0.41) IGF1RCACNA1BSLC22A12CYP11B1CYP11B2
SCHEMBL2937098 0.88 IGF1R (0.59) IGF1RCACNA1BSLC22A12CYP11B1CYP11B2
SCHEMBL2940890 0.88 IGF1R (0.46) IGF1RHCRTR1HCRTR2SMOCYP3A4
SCHEMBL2942189 0.85 SMO (0.42) IGF1RCYP11B1CYP11B2HCRTR1HCRTR2
SCHEMBL2941047 0.85 IGF1R (0.47) IGF1RHCRTR1HCRTR2SMOCYP3A4
SCHEMBL2938026 0.85 IGF1R (0.46) IGF1RHCRTR1HCRTR2SMOCYP3A4
SCHEMBL2941220 0.85 IGF1R (0.46) IGF1RHCRTR1HCRTR2SMOCYP3A4

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 IGF1R 1595/4885CACNA1B 4752/4885SLC22A12 3963/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA IGF1R 962/4885CACNA1B 4689/4885SLC22A12 3835/4885

“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.