SCHEMBL30488802

SCHEMBL30488802

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 0.81
KDR P35968 5/20 0.81
BRAF P15056 5/20 0.81
PDGFRB P09619 4/20 0.81
RET P07949 3/20 0.81
RIPK2 O43353 2/20 0.81
ABCB11 O95342 2/20 0.81
ABL1 P00519 2/20 0.81
HTR1A P08908 2/20 0.81
ADORA3 P0DMS8 2/20 0.81
KIT P10721 2/20 0.81
FGFR1 P11362 2/20 0.81
PDGFRA P16234 2/20 0.81
FLT1 P17948 2/20 0.81
MAOA P21397 2/20 0.81
EPHA1 P21709 2/20 0.81
TBXA2R P21731 2/20 0.81
EPHA2 P29317 2/20 0.81
TTK P33981 2/20 0.81
EPHX2 P34913 2/20 0.81

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
SCHEMBL15114774 1.00 RAF1 (0.81) RAF1KDRBRAFPDGFRBRET
SCHEMBL14964383 0.92 RAF1 (0.84) RAF1KDRBRAFPDGFRBRET
SCHEMBL2480623 0.91 RAF1 (0.84) RAF1KDRBRAFPDGFRBRET
SCHEMBL22627130 0.91 RAF1 (0.85) RAF1KDRBRAFPDGFRBRET
SCHEMBL22001803 0.90 RAF1 (0.82) RAF1KDRBRAFPDGFRBRET
Regorafenib SCHEMBL432230 0.90 RAF1 (1.00) RAF1KDRBRAFPDGFRBRET
Regorafenib SCHEMBL29349808 0.90 RAF1 (1.00) RAF1KDRBRAFPDGFRBRET
Regorafenib SCHEMBL29351376 0.90 RAF1 (1.00) RAF1KDRBRAFPDGFRBRET
Regorafenib SCHEMBL2555101 0.89 RAF1 (0.98) RAF1KDRBRAFPDGFRBRET
Regorafenib SCHEMBL29555444 0.89 RAF1 (0.98) RAF1KDRBRAFPDGFRBRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11951166-B2 Combination of regorafenib and PD-1/PD-L1(2) inhibitors for treating cancer BAYER AKTIENGESELLSCHAFT (DE) 2024-04-09 US claimed
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
EP-4342542-A2 COMBINATION OF REGORAFENIB AND NIVOLUMAB FOR TREATING CANCER Bayer HealthCare LLC (US) 2024-03-27 EP 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-116392484-A Coated pharmaceutical composition containing regorafenib 拜尔健康护理有限责任公司 2023-07-07 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

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-11951166-B2 Combination of regorafenib and PD-1/PD-L1(2) inhibitors for treating cancer PDCD1, CD274, PDCD1LG2 RAF1 18/4885KDR 1071/4885BRAF 9/4885

“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.