Sugi Predict

Sugi Predict / Compounds / SCHEMBL2939328

SCHEMBL2939328

SCHEMBL2939328

CC(C)Nc1cnccc1CN1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)C1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.43
▸ AOC1 P19801 2/20 0.38
▸ AOC3 Q16853 2/20 0.38
▸ SMO Q99835 4/20 0.36
▸ CYP3A4 P08684 2/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ NPBWR1 P48145 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LIPE Q05469 4/20 0.33
▸ HCRTR1 O43613 4/20 0.33
▸ HCRTR2 O43614 4/20 0.33

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
SCHEMBL2939965 0.90 IGF1R (0.44) IGF1RAOC1AOC3SMOCYP3A4
SCHEMBL2944009 0.88 IGF1R (0.43) IGF1RAOC1AOC3SMOCYP3A4
SCHEMBL2931345 0.86 IGF1R (0.46) IGF1RSMOPOLBL3MBTL1
SCHEMBL2933360 0.86 IGF1R (0.42) IGF1RSMOPOLBL3MBTL1
SCHEMBL2940810 0.86 IGF1R (0.40) IGF1RSMOL3MBTL1LIPE
SCHEMBL2936074 0.86 AOC1 (0.41) IGF1RAOC1AOC3SMOHCRTR1
SCHEMBL2941410 0.86 IGF1R (0.44) IGF1RSMOCYP3A4CYP11B1CYP11B2
SCHEMBL2938748 0.86 IGF1R (0.45) IGF1RSMOCYP3A4POLBL3MBTL1
SCHEMBL2939098 0.86 IGF1R (0.45) IGF1RSMOLIPEHCRTR1HCRTR2
SCHEMBL2939367 0.86 IGF1R (0.43) IGF1RSMOCYP3A4L3MBTL1HCRTR1

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 1595/4885AOC1 2240/4885AOC3 3865/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA IGF1R 962/4885AOC1 2183/4885AOC3 3735/4885

“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.