SCHEMBL5899255

SCHEMBL5899255

O=C(Nc1ccc(Oc2nccc3sncc23)cc1)Nc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.56
KDR P35968 12/20 0.53
TEK Q02763 8/20 0.53
FLT3 P36888 2/20 0.50
RIPK1 Q13546 1/20 0.50
RAF1 P04049 2/20 0.49
P2RY1 P47900 1/20 0.49

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
SCHEMBL937617 0.80 KDR (0.69) BRAFKDRTEKRAF1
SCHEMBL19888735 0.76 KDR (0.63) BRAFKDRTEKRAF1
SCHEMBL1662296 0.75 RAF1 (0.64) BRAFKDRTEKRAF1
SCHEMBL5899297 0.74 KDR (0.63) BRAFKDRTEKRAF1
SCHEMBL1660411 0.73 RAF1 (0.80) BRAFKDRTEKFLT3RIPK1
SCHEMBL5899329 0.72 KDR (0.66) BRAFKDRTEKRAF1
SCHEMBL31504025 0.72 KDR (0.64) BRAFKDRTEKRAF1
SCHEMBL16317401 0.72 KDR (0.79) BRAFKDRTEKRIPK1RAF1
SCHEMBL2934959 0.72 BRAF (1.00) BRAF
SCHEMBL5341416 0.72 KDR (0.68) BRAFKDRTEKRAF1

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 45/4885TEK 203/4885

“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.