SCHEMBL5899252

SCHEMBL5899252

O=C(Nc1ccc(Oc2cccn3ccnc23)cc1)Nc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.62
KDR P35968 9/20 0.53
TEK Q02763 7/20 0.53
EPHB4 P54760 1/20 0.51
PDGFRB P09619 1/20 0.50
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) BRAFKDRTEK
SCHEMBL5899289 0.79 BRAF (0.57) BRAFKDRTEKPDGFRB
SCHEMBL1662296 0.77 RAF1 (0.64) BRAFKDRTEK
SCHEMBL5899257 0.75 BRAF (0.58) BRAFKDRTEK
SCHEMBL19888735 0.75 KDR (0.63) BRAFKDRTEK
SCHEMBL5767425 0.74 BRAF (0.59) BRAFKDRTEK
SCHEMBL1660411 0.74 RAF1 (0.80) BRAFKDRTEKEPHB4PDGFRB
SCHEMBL5351020 0.73 BRAF (0.58) BRAFKDRTEKP2RY1
SCHEMBL31504025 0.73 KDR (0.64) BRAFKDRTEK
SCHEMBL17360410 0.73 NTRK1 (0.81)

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-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.