SCHEMBL5423110

SCHEMBL5423110

O=C(Nc1cc(OCCN2CCCC2)cc(C(F)(F)F)c1)c1cnc2ccc(Oc3ccnc(-c4ncc[nH]4)c3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.54
BRAF P15056 6/20 0.43
SCN9A Q15858 2/20 0.40
FGFR1 P11362 1/20 0.40
LTA4H P09960 1/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CYP3A4 P08684 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
JAK2 O60674 1/20 0.38
SRC P12931 1/20 0.38
ABL1 P00519 2/20 0.37
RAF1 P04049 1/20 0.37

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
SCHEMBL5422272 0.90 KDR (0.53) KDRBRAFSCN9AFGFR1LTA4H
SCHEMBL10200858 0.90 KDR (0.55) KDRBRAFFGFR1LTA4HHTR2A
SCHEMBL545902 0.88 KDR (0.53) KDRBRAFSCN9AFGFR1LTA4H
SCHEMBL5425709 0.87 KDR (0.55) KDRBRAFSCN9AFGFR1LTA4H
SCHEMBL545790 0.86 KDR (0.52) KDRBRAFSCN9AFGFR1LTA4H
SCHEMBL10200860 0.85 KDR (0.52) KDRBRAFSCN9AFGFR1LTA4H
SCHEMBL545035 0.85 KDR (0.70) KDRBRAFFGFR1LCKFYN
SCHEMBL545068 0.83 RAF1 (0.43) KDRBRAFLCKFYNCYP3A4
SCHEMBL546655 0.81 KDR (0.49) KDRBRAFFGFR1LTA4HHTR2A
SCHEMBL546100 0.81 KDR (0.49) KDRBRAFFGFR1LTA4HHTR2A

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-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 KDR 1264/4885BRAF 215/4885SCN9A 4181/4885

“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.