SCHEMBL546100

SCHEMBL546100

O=C(Nc1cc(OCCN2CCCC2)cc(C(F)(F)F)c1)c1ccc2ccc(Oc3ccnc(-c4nc(CN5CCCC5)c[nH]4)c3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.49
BRAF P15056 5/20 0.43
FGFR1 P11362 1/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
LTA4H P09960 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
ABL1 P00519 2/20 0.38
KCNH2 Q12809 1/20 0.38
JAK2 O60674 1/20 0.37
SRC P12931 1/20 0.37
MCHR1 Q99705 3/20 0.37
BCR P11274 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
SCHEMBL5425786 0.97 KDR (0.48) KDRBRAFFGFR1HTR2AHTR2C
SCHEMBL546655 0.95 KDR (0.49) KDRBRAFFGFR1HTR2AHTR2C
SCHEMBL10199786 0.85 KDR (0.51) KDRBRAFFGFR1HTR2AHTR2C
SCHEMBL5426983 0.84 KDR (0.53) KDRBRAFFGFR1HTR2AHTR2C
SCHEMBL5422272 0.83 KDR (0.53) KDRBRAFFGFR1HTR2AHTR2C
SCHEMBL5420350 0.83 KDR (0.52) KDRBRAFFGFR1HTR2AHTR2C
SCHEMBL546211 0.82 KDR (0.68) KDRBRAFFGFR1HTR2AHTR2C
SCHEMBL546280 0.82 KDR (0.53) KDRBRAFFGFR1HTR2AHTR2C
SCHEMBL5438836 0.81 KDR (0.54) KDRBRAFFGFR1
SCHEMBL5423110 0.81 KDR (0.54) KDRBRAFFGFR1HTR2AHTR2C

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 2 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-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 215/4885FGFR1 580/4885

“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.