SCHEMBL14481108

SCHEMBL14481108

[2H]C([2H])([2H])NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n+]1[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.60
KDR P35968 7/20 0.58
CDK8 P49336 2/20 0.58
AURKB Q96GD4 2/20 0.58
RET P07949 2/20 0.58
MEN1 O00255 1/20 0.58
PLK4 O00444 1/20 0.58
CIT O14578 1/20 0.58
AURKA O14965 1/20 0.58
MUSK O15146 1/20 0.58
EPHB6 O15197 1/20 0.58
MAPK13 O15264 1/20 0.58
MLNR O43193 1/20 0.58
MAP3K7 O43318 1/20 0.58
RIPK2 O43353 1/20 0.58
DYRK3 O43781 1/20 0.58
PDE6D O43924 1/20 0.58
NR1I2 O75469 1/20 0.58
STK10 O94804 1/20 0.58
CDK14 O94921 1/20 0.58

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
SCHEMBL29733289 0.94 RAF1 (0.67) RAF1KDRCDK8AURKBRET
SCHEMBL548256 0.94 RAF1 (0.67) RAF1KDRCDK8AURKBRET
SCHEMBL14714846 0.92 KDR (0.62) RAF1KDRCDK8AURKBRET
SCHEMBL548163 0.89 RAF1 (0.64) RAF1KDRCDK8AURKBRET
SCHEMBL14680381 0.88 RAF1 (0.54) RAF1KDRCDK8AURKBRET
SCHEMBL549150 0.87 RAF1 (0.56) RAF1KDRCDK8AURKBRET
SCHEMBL14680565 0.86 RAF1 (0.56) RAF1KDRCDK8AURKBRET
SCHEMBL29746661 0.86 KDR (0.68) RAF1KDRCDK8AURKBRET
SCHEMBL15114776 0.86 KDR (0.68) RAF1KDRCDK8AURKBRET
SCHEMBL549118 0.83 RAF1 (0.65) RAF1KDRCDK8AURKBRET

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3330254-A2 METHOD AND PROCESS FOR PREPARATION AND PRODUCTION OF DEUTERATED OMEGA-DIPHENYLUREA Suzhou Zelgen Biopharmaceutical Co., Ltd. (CN) 2018-06-06 EP disclosed
EP-2548868-B1 METHOD AND PROCESS FOR PREPARATION AND PRODUCTION OF DEUTERATED OMEGA -DIPHENYLUREA SUZHOU ZELGEN BIOPHARMACEUTICAL CO LTD (CN) 2018-01-24 EP disclosed
US-9078933-B2 Deuterated omega diphenylurea related compounds and intermediates SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. (CN) 2015-07-14 US disclosed
US-9072796-B2 Method for preparing deuterated diphenylurea SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. (CN) 2015-07-07 US disclosed
US-20150175545-A1 Preparation Method of Fluoro-Substituted Deuterated Diphenylurea SUZHOU ZELGEN BIOPHARMACEUTICAL CO LTD (CN) 2015-06-25 US disclosed
EP-2548859-B1 PREPARATION METHODS OF METHYL-D3-AMINE AND SALTS THEREOF SUZHOU ZELGEN BIOPHARMACEUTICAL CO LTD (CN) 2015-03-04 EP disclosed
US-8759531-B2 Preparation method of fluoro-substituted deuterated diphenylurea Suzhou Zelgen Biopharmaccceutical Co., Ltd. (CN) 2014-06-24 US disclosed
US-8748666-B2 Preparation methods of methyl-D3-amine and salts thereof SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. (CN) 2014-06-10 US disclosed
US-20140128612-A1 DEUTERATED OMEGA DIPHENYLUREA RELATED COMPOUNDS AND INTERMEDIATES SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. (CN) 2014-05-08 US disclosed
US-20140088311-A1 METHOD FOR PREPARING DEUTERATED DIPHENYLUREA SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. (CN) 2014-03-27 US disclosed
US-20130060044-A1 METHOD FOR PREPARING DEUTERATED DIPHENYLUREA SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. (CN) 2013-03-07 US disclosed
US-20130060044-A1 METHOD FOR PREPARING 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
US-20130035492-A1 METHOD AND PROCESS FOR PREPARATION AND PRODUCTION OF DEUTERATED OMEGA-DIPHENYLUREA SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. 2013-02-07 US disclosed
EP-2548859-A1 PREPARATION METHODS OF METHYL-D3-AMINE AND SALTS THEREOF Suzhou Zelgen Biopharmaceutical Co., Ltd. (CN) 2013-01-23 EP disclosed
EP-2548867-A1 METHOD FOR PREPARING DEUTERATED DIPHENYLUREA Suzhou Zelgen Biopharmaceutical Co., Ltd. (CN) 2013-01-23 EP disclosed
EP-2548868-A1 METHOD AND PROCESS FOR PREPARATION AND PRODUCTION OF DEUTERATED -DIPHENYLUREA Suzhou Zelgen Biopharmaceutical Co., Ltd. (CN) 2013-01-23 EP disclosed
US-20130018209-A1 PREPARATION METHODS OF METHYL-D3-AMINE AND SALTS THEREOF SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. (CN) 2013-01-17 US disclosed
US-20130012548-A1 DEUTERIUM-SUBSTITUTED OMEGA-DIPHENYLUREA AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUNDS SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. (CN) 2013-01-10 US disclosed
US-20130012548-A1 DEUTERIUM-SUBSTITUTED OMEGA-DIPHENYLUREA AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUNDS SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. (CN) 2013-01-10 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 (8 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 3715/4885KDR 4466/4885CDK8 370/4885
US-20140088311-A1 METHOD FOR PREPARING DEUTERATED DIPHENYLUREA NMUR1, NMUR2, NUDT1 RAF1 4326/4885KDR 4744/4885CDK8 976/4885
US-20130012548-A1 DEUTERIUM-SUBSTITUTED OMEGA-DIPHENYLUREA AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUNDS PPARD, HDHD5, SCD RAF1 2908/4885KDR 1916/4885CDK8 975/4885
US-20130035492-A1 METHOD AND PROCESS FOR PREPARATION AND PRODUCTION OF DEUTERATED OMEGA-DIPHENYLUREA PNLIP, PDXK, PNP RAF1 1962/4885KDR 3367/4885CDK8 76/4885
US-20140128612-A1 DEUTERATED OMEGA DIPHENYLUREA RELATED COMPOUNDS AND INTERMEDIATES PNLIP, PDXK, DGKK RAF1 1043/4885KDR 3962/4885CDK8 71/4885
US-20130018209-A1 PREPARATION METHODS OF METHYL-D3-AMINE AND SALTS THEREOF NSD3, CCND3, DRD3 RAF1 4408/4885KDR 4053/4885CDK8 333/4885
US-20150175545-A1 Preparation Method of Fluoro-Substituted Deuterated Diphenylurea CCND3, UBE2D3, VDR RAF1 3715/4885KDR 4466/4885CDK8 370/4885
US-20130060044-A1 METHOD FOR PREPARING DEUTERATED DIPHENYLUREA NMUR1, NMUR2, NUDT1 RAF1 4326/4885KDR 4744/4885CDK8 976/4885

“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.