SCHEMBL3782348

SCHEMBL3782348

CNC(=O)c1cc(Oc2ccc(NC(=O)Cc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 13/20 0.81
BRAF P15056 7/20 0.81
KDR P35968 5/20 0.75
RET P07949 4/20 0.75
PDGFRB P09619 3/20 0.75
KIT P10721 3/20 0.75
PDGFRA P16234 3/20 0.75
DDR1 Q08345 3/20 0.75
RIPK2 O43353 2/20 0.75
ABCB11 O95342 2/20 0.75
ABL1 P00519 2/20 0.75
HTR1A P08908 2/20 0.75
ADORA3 P0DMS8 2/20 0.75
FGFR1 P11362 2/20 0.75
FLT1 P17948 2/20 0.75
MAOA P21397 2/20 0.75
EPHA1 P21709 2/20 0.75
TBXA2R P21731 2/20 0.75
EPHA2 P29317 2/20 0.75
TTK P33981 2/20 0.75

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
SCHEMBL3776565 0.95 RAF1 (0.84) RAF1BRAFKDRRETPDGFRB
SCHEMBL5635314 0.90 RAF1 (0.86) RAF1BRAFKDRRETPDGFRB
SCHEMBL3546122 0.90 RAF1 (1.00) RAF1BRAFKDRRETPDGFRB
SCHEMBL3545392 0.88 RAF1 (0.90) RAF1BRAFKDRRETPDGFRB
SCHEMBL16628058 0.87 RAF1 (0.75) RAF1BRAFKDRRETPDGFRB
SCHEMBL15574549 0.87 RAF1 (0.70) RAF1BRAFKDRRETPDGFRB
SCHEMBL6030121 0.86 RAF1 (0.89) RAF1BRAFKDRRETPDGFRB
Sorafenib SCHEMBL14739751 0.86 RAF1 (1.00) RAF1BRAFKDRRETPDGFRB
Sorafenib SCHEMBL29349634 0.86 RAF1 (1.00) RAF1BRAFKDRRETPDGFRB
Sorafenib SCHEMBL8218 0.86 RAF1 (1.00) RAF1BRAFKDRRETPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298385-A1 PROTEIN KINASE INHIBITORS USEFUL FOR TREATMENT OF CANCERS DU, XIAOMIN (CN) 2010-11-25 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 (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-20100298385-A1 PROTEIN KINASE INHIBITORS USEFUL FOR TREATMENT OF CANCERS MAP3K6, MAP3K20, MAP3K5 RAF1 22/4885BRAF 9/4885KDR 576/4885

“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.