SCHEMBL5899286

SCHEMBL5899286

O=C(Nc1ccc(OC2=CC3=CNSN3C=C2)c(F)c1)Nc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.48
KDR P35968 9/20 0.48
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TEK Q02763 2/20 0.41
RAF1 P04049 1/20 0.41
NTRK1 P04629 1/20 0.40
RET P07949 1/20 0.40
PDGFRB P09619 1/20 0.40
LTK P29376 1/20 0.40
FLT3 P36888 1/20 0.40
CDK8 P49336 1/20 0.40
NTRK3 Q16288 1/20 0.40
MAPK14 Q16539 1/20 0.40
NTRK2 Q16620 1/20 0.40
AURKB Q96GD4 1/20 0.40
IDH1 O75874 1/20 0.40

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
SCHEMBL5899281 0.93 BRAF (0.44) BRAFKDRCA12CA1CA2
SCHEMBL5899323 0.90 KDR (0.50) BRAFKDRCA12CA1CA2
SCHEMBL5899280 0.82 KDR (0.44) BRAFKDRTEKRAF1
SCHEMBL5899270 0.73 KDR (0.51) BRAFKDRCA1CA2CA9
SCHEMBL5899309 0.72 RAF1 (0.53) BRAFKDRTEKRAF1RET
SCHEMBL5899253 0.71 BRAF (0.51) BRAFKDRCA12CA1CA2
SCHEMBL5766188 0.70 CBFB (0.33) KDRTEK
SCHEMBL5452397 0.70 PIM1 (0.31) KDR
SCHEMBL5899290 0.70 KDR (0.61) BRAFKDRTEKRAF1
SCHEMBL21750965 0.69 CA12 (0.67) BRAFKDRCA12CA1CA2

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-20060241301-A1 Urea derivatives and their use as tyrosinkinase inhibitors MERCK PATENT GMBH (DE) 2006-10-26 US claimed
US-20060241301-A1 Urea derivatives and their use as tyrosinkinase inhibitors MERCK PATENT GMBH (DE) 2006-10-26 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-20060241301-A1 Urea derivatives and their use as tyrosinkinase inhibitors TIE1, UCK2, UTS2R BRAF 34/4885KDR 45/4885CA12 3994/4885

“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.