SCHEMBL545164

SCHEMBL545164

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCc2ccc(Oc3ccnc(-c4ncc(CO)[nH]4)c3)cc2C1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 0.56
KDR P35968 8/20 0.48
BRAF P15056 2/20 0.45
FLT1 P17948 1/20 0.44
TRPV1 Q8NER1 2/20 0.43

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
SCHEMBL14493433 0.92 RAF1 (0.54) RAF1KDRBRAFFLT1
SCHEMBL10200455 0.86 RAF1 (0.54) RAF1KDRBRAFFLT1
SCHEMBL545457 0.83 KDR (0.49) RAF1KDRBRAFFLT1
SCHEMBL546335 0.83 RAF1 (0.66) RAF1KDRBRAF
SCHEMBL545055 0.83 RAF1 (0.45) RAF1KDRBRAFFLT1TRPV1
SCHEMBL14493366 0.81 RAF1 (0.67) RAF1KDRBRAFFLT1
SCHEMBL5436422 0.80 BRAF (0.55) RAF1KDRBRAFFLT1
SCHEMBL545846 0.80 RAF1 (0.55) RAF1KDRBRAFFLT1
SCHEMBL545674 0.80 RAF1 (0.60) RAF1KDRBRAFFLT1
SCHEMBL545771 0.80 RAF1 (0.68) RAF1KDRBRAFFLT1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 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-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 RAF1 198/4885KDR 1264/4885BRAF 215/4885

“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.