SCHEMBL3729343

SCHEMBL3729343

COc1ccc2c(C(C)C3(C(C)c4ccnc5cc(OC)ccc45)NC(=O)N(c4ccc(OC(F)(F)F)cc4)C3=O)ccnc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 5/20 0.42
MAT2A P31153 1/20 0.38
GPR139 Q6DWJ6 2/20 0.38
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA6 Q16445 2/20 0.37
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AR P10275 1/20 0.34
KDR P35968 2/20 0.34
CLK2 P49760 2/20 0.34
HIPK4 Q8NE63 2/20 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
SCHEMBL6177961 0.93 MAPK7 (0.39) MAPK7MAT2AGPR139CYP3A4GAA
SCHEMBL6175201 0.91 MAPK7 (0.39) MAPK7MAT2ACYP3A4GAACYP2C9
SCHEMBL6174121 0.90 TRPV1 (0.40) MAPK7GPR139CYP3A4GAACYP2C9
SCHEMBL6172636 0.89 KDM4E (0.35) MAPK7CYP3A4GAACYP2C9CYP2C19
SCHEMBL6169960 0.89 IGF1R (0.42) CYP3A4GAACYP2C9CYP2C19GABRA1
SCHEMBL6175751 0.88 AR (0.41) GPR139CYP3A4GAACYP2C9CYP2C19
SCHEMBL6173635 0.87 CCR6 (0.35) MAPK7POLBL3MBTL1MAPTROS1
SCHEMBL6174465 0.85 MAPK7 (0.39) MAPK7CYP3A4GAACYP2C9CYP2C19
SCHEMBL6172700 0.85 TRPV1 (0.46) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6176261 0.85 DDR1 (0.38) CYP3A4GABRA1GABRG2GABRB3GABRA5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3188729-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS Genzyme Corporation (US) 2017-07-12 EP disclosed
WO-2016036796-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS GENZYME CORPORATION (US) 2016-03-10 WO disclosed
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
EP-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO 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 (1 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 MAPK7 90/4885MAT2A 2095/4885GPR139 3267/4885

“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.