SCHEMBL12333608

SCHEMBL12333608

COC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 8/20 0.82
BRAF P15056 8/20 0.82
KDR P35968 8/20 0.82
RET P07949 3/20 0.82
RIPK2 O43353 2/20 0.82
ABCB11 O95342 2/20 0.82
ABL1 P00519 2/20 0.82
HTR1A P08908 2/20 0.82
PDGFRB P09619 2/20 0.82
ADORA3 P0DMS8 2/20 0.82
KIT P10721 2/20 0.82
FGFR1 P11362 2/20 0.82
PDGFRA P16234 2/20 0.82
FLT1 P17948 2/20 0.82
MAOA P21397 2/20 0.82
EPHA1 P21709 2/20 0.82
TBXA2R P21731 2/20 0.82
EPHA2 P29317 2/20 0.82
TTK P33981 2/20 0.82
EPHX2 P34913 2/20 0.82

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
SCHEMBL14715080 0.92 RAF1 (0.79) RAF1BRAFKDRRETRIPK2
SCHEMBL4609009 0.91 BRAF (0.82) RAF1BRAFKDRRETRIPK2
SCHEMBL3407209 0.91 RAF1 (0.80) RAF1BRAFKDRRETRIPK2
Regorafenib SCHEMBL29351376 0.90 RAF1 (1.00) RAF1BRAFKDRRETRIPK2
Regorafenib SCHEMBL29349808 0.90 RAF1 (1.00) RAF1BRAFKDRRETRIPK2
Regorafenib SCHEMBL432230 0.90 RAF1 (1.00) RAF1BRAFKDRRETRIPK2
SCHEMBL29643339 0.90 RAF1 (0.82) RAF1BRAFKDRRETRIPK2
SCHEMBL432444 0.90 RAF1 (0.82) RAF1BRAFKDRRETRIPK2
Regorafenib SCHEMBL2555101 0.90 RAF1 (0.98) RAF1BRAFKDRRETRIPK2
SCHEMBL21501428 0.90 RAF1 (0.80) RAF1BRAFKDRRETRIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175545-A1 Preparation Method of Fluoro-Substituted Deuterated Diphenylurea SUZHOU ZELGEN BIOPHARMACEUTICAL CO LTD (CN) 2015-06-25 US disclosed
US-20150175545-A1 Preparation Method of Fluoro-Substituted Deuterated Diphenylurea SUZHOU ZELGEN BIOPHARMACEUTICAL CO LTD (CN) 2015-06-25 US disclosed
US-8759531-B2 Preparation method of fluoro-substituted deuterated diphenylurea Suzhou Zelgen Biopharmaccceutical Co., Ltd. (CN) 2014-06-24 US disclosed
US-8759531-B2 Preparation method of fluoro-substituted deuterated diphenylurea Suzhou Zelgen Biopharmaccceutical Co., Ltd. (CN) 2014-06-24 US disclosed
EP-2589384-A1 New Pharmaceutical Compositions for the Treatment of Hyper-Proliferative Disorders Bayer Healthcare LLC (US) 2013-05-08 EP disclosed
US-20130060043-A1 PREPARATION METHOD OF FLUORO-SUBSTITUTED DEUTERATED DIPHENYLUREA SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD (CN) 2013-03-07 US disclosed
US-20130060043-A1 PREPARATION METHOD OF FLUORO-SUBSTITUTED DEUTERATED DIPHENYLUREA SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD (CN) 2013-03-07 US disclosed
EP-2562159-A1 PREPARATION METHOD OF FLUORO-SUBSTITUTED DEUTERATED DIPHENYLUREA Suzhou Zelgen Biopharmaceutical Co., Ltd. (CN) 2013-02-27 EP disclosed
EP-2562159-A1 PREPARATION METHOD OF FLUORO-SUBSTITUTED DEUTERATED DIPHENYLUREA Suzhou Zelgen Biopharmaceutical Co., Ltd. (CN) 2013-02-27 EP disclosed
WO-2011113368-A1 PREPARATION METHOD OF FLUORO-SUBSTITUTED DEUTERATED DIPHENYLUREA 苏州泽璟生物制药有限公司 (CN) 2011-09-22 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 (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-20130060043-A1 PREPARATION METHOD OF FLUORO-SUBSTITUTED DEUTERATED DIPHENYLUREA CCND3, UBE2D3, VDR RAF1 3715/4885BRAF 1533/4885KDR 4466/4885
US-20150175545-A1 Preparation Method of Fluoro-Substituted Deuterated Diphenylurea CCND3, UBE2D3, VDR RAF1 3715/4885BRAF 1533/4885KDR 4466/4885

“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.