SCHEMBL17433342

SCHEMBL17433342

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

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.82
RAF1 P04049 8/20 0.82
BRAF P15056 6/20 0.82
RET P07949 4/20 0.82
ABL1 P00519 4/20 0.82
RIPK2 O43353 3/20 0.82
EPHA2 P29317 3/20 0.82
MAPK14 Q16539 3/20 0.82
MAP3K20 Q9NYL2 3/20 0.82
EPHX2 P34913 3/20 0.82
ABCB11 O95342 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

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
SCHEMBL5080020 0.93 KDR (0.85) KDRRAF1BRAFRETABL1
SCHEMBL13885368 0.91 RAF1 (0.80) KDRRAF1BRAFRETABL1
Regorafenib SCHEMBL29351376 0.90 RAF1 (1.00) KDRRAF1BRAFRETABL1
Regorafenib SCHEMBL29349808 0.90 RAF1 (1.00) KDRRAF1BRAFRETABL1
Regorafenib SCHEMBL432230 0.90 RAF1 (1.00) KDRRAF1BRAFRETABL1
SCHEMBL5082237 0.90 RAF1 (0.83) KDRRAF1BRAFRETABL1
Regorafenib SCHEMBL29555444 0.90 RAF1 (0.98) KDRRAF1BRAFRETABL1
Regorafenib SCHEMBL2555101 0.90 RAF1 (0.98) KDRRAF1BRAFRETABL1
Regorafenib SCHEMBL29496390 0.90 RAF1 (0.98) KDRRAF1BRAFRETABL1
Regorafenib SCHEMBL2554008 0.90 RAF1 (0.98) KDRRAF1BRAFRETABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180214449-A1 CANCER THERAPY USING JAK INHIBITOR IN COMBINATION WITH MAPK INHIBITORS UBRX, INC. 2018-08-02 US disclosed
US-20160009785-A1 NOVEL FUSION MOLECULES AND USES THEREOF FOUNDATION MEDICINE, INC. 2016-01-14 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 (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-20160009785-A1 NOVEL FUSION MOLECULES AND USES THEREOF RPS27A, CD2BP2, FGB KDR 1464/4885RAF1 2627/4885BRAF 3140/4885
US-20180214449-A1 CANCER THERAPY USING JAK INHIBITOR IN COMBINATION WITH MAPK INHIBITORS JAK2, JAK1, JAK3 KDR 1375/4885RAF1 98/4885BRAF 42/4885

“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.