SCHEMBL4609009

SCHEMBL4609009

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(Oc2ccnc(C(=O)O)c2)cc1F

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 9/20 0.82
▸ RAF1 P04049 8/20 0.82
▸ KDR P35968 7/20 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
SCHEMBL432444 0.92 RAF1 (0.82) BRAFRAF1KDRRETRIPK2
SCHEMBL29643339 0.92 RAF1 (0.82) BRAFRAF1KDRRETRIPK2
SCHEMBL22627130 0.91 RAF1 (0.85) BRAFRAF1KDRRETRIPK2
SCHEMBL12333608 0.91 RAF1 (0.82) BRAFRAF1KDRRETRIPK2
SCHEMBL29793192 0.90 RAF1 (0.83) BRAFRAF1KDRRETRIPK2
SCHEMBL3408499 0.90 RAF1 (0.83) BRAFRAF1KDRRETRIPK2
Regorafenib SCHEMBL29349808 0.90 RAF1 (1.00) BRAFRAF1KDRRETRIPK2
Regorafenib SCHEMBL29351376 0.90 RAF1 (1.00) BRAFRAF1KDRRETRIPK2
Regorafenib SCHEMBL432230 0.90 RAF1 (1.00) BRAFRAF1KDRRETRIPK2
Regorafenib SCHEMBL2555101 0.89 RAF1 (0.98) BRAFRAF1KDRRETRIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117899212-A Combination of regorafenib and a PD-1/PD-L1 (2) inhibitor for the treatment of cancer 拜耳医药保健有限责任公司 2024-04-19 — — CN disclosed
CN-117582495-A Combination of regorafenib and a PD-1/PD-L1 (2) inhibitor for the treatment of cancer 拜耳医药保健有限责任公司 2024-02-23 — — CN disclosed
CN-110662540-B Combination of regorafenib and a PD-1/PD-L1 (2) inhibitor for the treatment of cancer 拜耳医药保健有限责任公司 2024-01-26 — — CN disclosed
CN-116392485-A Coated pharmaceutical composition containing regorafenib 拜尔健康护理有限责任公司 2023-07-07 — — CN disclosed
CN-116392598-A Coated pharmaceutical composition containing regorafenib 拜尔健康护理有限责任公司 2023-07-07 — — CN disclosed
CN-116392484-A Coated pharmaceutical composition containing regorafenib 拜尔健康护理有限责任公司 2023-07-07 — — CN disclosed
EP-3513809-B9 MEDICINAL COMPOSITION COMPRISING TIVOZANIB KYOWA KIRIN CO LTD (JP) 2022-07-13 — — EP disclosed
EP-4000634-A1 MEDICINAL COMPOSITION COMPRISING TIVOZANIB Kyowa Kirin Co., Ltd. (JP) 2022-05-25 — — EP disclosed
US-11078232-B2 Preparation and use of molecular site targeted and activated kinase inhibitor Yafei Shanghai Biology Medicine Science & Technology Co. Ltd. (CN) 2021-08-03 — — US disclosed
US-20200140485-A1 PREPARATION AND USE OF MOLECULAR SITE TARGETED AND ACTIVATED KINASE INHIBITOR Yafei Shanghai Biology Medicine Science & Technology Co. Ltd. (CN) 2020-05-07 — — 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
CN-102803220-A Synthetic method of fluorine-containing deuterated diphenylurea SUZHOU ZELGEN BIOPHARMACEUTICAL CO LTD 2012-11-28 — — CN 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
CN-101287463-A Novel pharmaceutical compositions comprising 4- (4- (3- (4-chloro-3-trifluoromethylphenyl) -ureido) -3-fluorophenoxy) -pyridine-2-carboxylic acid for the treatment of hyperproliferative diseases BAYER PHARMACEUTICAL CORP (US) 2008-10-15 — — CN disclosed
EP-1948170-A1 DIARYL UREA FOR TREATING PULMONARY HYPERTENSION Bayer HealthCare AG (DE) 2008-07-30 — — EP disclosed
EP-1793824-A1 NEW PHARMACEUTICAL COMPOSITIONS COMPRISING 4-(4-(3-(4-CHLORO-3-TRIFLUOROMETHYL-PHENYL)-UREIDO)-3-FLUORO-PHENOXY)-PYRIDINE-2-CARBOXYLIC ACID FOR THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS Bayer Pharmaceuticals Corporation (US) 2007-06-13 — — EP disclosed
WO-2007054216-A1 DIARYL UREA FOR TREATING PULMONARY HYPERTENSION BAYER HEALTHCARE AG (DE) 2007-05-18 — — WO disclosed
WO-2006026500-A1 NEW PHARMACEUTICAL COMPOSITIONS COMPRISING 4-(4-(3-(4-CHLORO-3-TRIFLUOROMETHYL-PHENYL)-UREIDO)-3-FLUORO-PHENOXY)-PYRIDINE-2-CARBOXYLIC ACID FOR THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-09 — — 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 (3 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 BRAF 1533/4885RAF1 3715/4885KDR 4466/4885
US-11078232-B2 Preparation and use of molecular site targeted and activated kinase inhibitor ACP1, PACSIN2, PKN2 BRAF 108/4885RAF1 127/4885KDR 1924/4885
US-20200140485-A1 PREPARATION AND USE OF MOLECULAR SITE TARGETED AND ACTIVATED KINASE INHIBITOR ACP1, PACSIN2, PKN2 BRAF 123/4885RAF1 122/4885KDR 1954/4885

“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.

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