SCHEMBL5420350

SCHEMBL5420350

O=C(O)Nc1cc(Oc2ccc3ccc(C(=O)Nc4cc(OCCN5CCCC5)cc(C(F)(F)F)c4)cc3c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.52
FGFR1 P11362 3/20 0.52
BRAF P15056 9/20 0.48
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
LTA4H P09960 1/20 0.43
MCHR1 Q99705 3/20 0.42
ABL1 P00519 1/20 0.42
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
SCHEMBL546280 0.93 KDR (0.53) KDRFGFR1BRAFHTR2AHTR2C
SCHEMBL5438836 0.92 KDR (0.54) KDRFGFR1BRAF
SCHEMBL5426983 0.89 KDR (0.53) KDRFGFR1BRAFHTR2AHTR2C
SCHEMBL546211 0.87 KDR (0.68) KDRFGFR1BRAFHTR2AHTR2C
SCHEMBL10199786 0.86 KDR (0.51) KDRFGFR1BRAFHTR2AHTR2C
SCHEMBL545944 0.83 BRAF (0.53) KDRBRAFHTR2AHTR2CLTA4H
SCHEMBL546655 0.83 KDR (0.49) KDRFGFR1BRAFHTR2AHTR2C
SCHEMBL546100 0.83 KDR (0.49) KDRFGFR1BRAFHTR2AHTR2C
SCHEMBL5425709 0.80 KDR (0.55) KDRFGFR1BRAFHTR2AHTR2C
SCHEMBL5425786 0.80 KDR (0.48) KDRFGFR1BRAFHTR2AHTR2C

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 1264/4885FGFR1 580/4885BRAF 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.