SCHEMBL5899323

SCHEMBL5899323

O=C(Nc1ccc(OC2=CC3=CNSN3C=C2)cc1)Nc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.50
TEK Q02763 12/20 0.50
BRAF P15056 4/20 0.49
RAF1 P04049 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL5899286 0.90 BRAF (0.48) KDRTEKBRAFRAF1CA12
SCHEMBL5899280 0.89 KDR (0.44) KDRTEKBRAFRAF1
SCHEMBL5899281 0.88 BRAF (0.44) KDRTEKBRAFRAF1CA12
SCHEMBL5899270 0.81 KDR (0.51) KDRBRAFRAF1CA1CA2
SCHEMBL5899253 0.79 BRAF (0.51) KDRTEKBRAFRAF1CA12
SCHEMBL5899309 0.76 RAF1 (0.53) KDRTEKBRAFRAF1
SCHEMBL5341416 0.73 KDR (0.68) KDRTEKBRAFRAF1CA12
SCHEMBL937617 0.73 KDR (0.69) KDRTEKBRAFRAF1CA12
SCHEMBL31504025 0.72 KDR (0.64) KDRTEKBRAFRAF1CA12
SCHEMBL5447170 0.71 RAF1 (0.33) KDRTEKBRAFRAF1

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 KDR 45/4885TEK 203/4885BRAF 34/4885

“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.