SCHEMBL10199956

SCHEMBL10199956

O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc2ccc(Oc3ccnc(C4=NCCN4)c3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 7/20 0.49
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 1/20 0.46
XBP1 P17861 1/20 0.46
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KDR P35968 7/20 0.42
FLT1 P17948 1/20 0.41
EPHX1 P07099 1/20 0.40
BRAF P15056 1/20 0.39

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
SCHEMBL10199733 0.90 KDR (0.42) RAF1KMT2AKDRFLT1BRAF
SCHEMBL545637 0.90 KDR (0.52) RAF1MEN1KMT2AKDRFLT1
SCHEMBL545010 0.89 KDR (0.50) RAF1MEN1KMT2AKDRFLT1
SCHEMBL5416351 0.88 RAF1 (0.45) RAF1KDRFLT1BRAF
SCHEMBL545439 0.88 MAPK14 (0.44) RAF1KDRFLT1BRAF
SCHEMBL545887 0.85 KDR (0.51) RAF1MAPTMEN1KMT2AKDR
SCHEMBL546229 0.85 MAPK14 (0.50) RAF1HTTBRAF
SCHEMBL545423 0.84 MAPK14 (0.49) RAF1HTTBRAF
SCHEMBL545648 0.83 ABL1 (0.58) BRAF
SCHEMBL10199859 0.82 BRAF (0.43) RAF1MAPTKDRFLT1BRAF

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 5 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-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
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 WO 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 198/4885MAPT 2178/4885MEN1 2916/4885

“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.