SCHEMBL5899248

SCHEMBL5899248

O=C(Nc1ccc(Oc2cccc3ccc4nccn4c23)cc1)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.49
EPHX2 P34913 3/20 0.48
P2RY1 P47900 11/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
FAAH O00519 1/20 0.46
P2RY14 Q15391 2/20 0.46
P2RY2 P41231 1/20 0.45
RAF1 P04049 1/20 0.45
KDR P35968 3/20 0.45
KCNH2 Q12809 1/20 0.42

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
SCHEMBL5899313 0.85 BRAF (0.57) BRAFEPHX2RAF1KDR
SCHEMBL5899289 0.83 BRAF (0.57) BRAFRAF1KDR
SCHEMBL16621229 0.77 NPC1 (0.57) BRAFEPHX2P2RY1NPC1RAB9A
SCHEMBL19510461 0.72 HPGD (0.53) BRAFEPHX2NPC1RAB9AKDR
SCHEMBL19510478 0.70 THRB (0.44) EPHX2P2RY1NPC1RAB9AP2RY14
SCHEMBL11555827 0.69 EPHX2 (1.00) EPHX2NPC1RAB9AFAAH
SCHEMBL19510436 0.69 KMT2A (0.50)
SCHEMBL19510471 0.69 HPGD (0.49) EPHX2NPC1RAB9AKDR
SCHEMBL19510395 0.69 MCHR1 (0.51) EPHX2KDR
SCHEMBL5457073 0.69 RIPK1 (0.36) BRAFRAF1KDR

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 34/4885EPHX2 1290/4885P2RY1 4141/4885

“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.