SCHEMBL546099

SCHEMBL546099

O=C(Nc1cc(OC2CCNCC2)cc(C(F)(F)F)c1)c1ccc2ccc(Oc3ccnc(C4=NCCN4)c3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.44
BRAF P15056 7/20 0.44
CSF1R P07333 1/20 0.40
DYRK1A Q13627 5/20 0.40
DDR2 Q16832 1/20 0.39
GSK3B P49841 4/20 0.39
FGFR1 P11362 1/20 0.38
WNT1 P04628 3/20 0.38
SYK P43405 1/20 0.38

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
SCHEMBL10199859 0.89 BRAF (0.43) KDRBRAF
SCHEMBL545910 0.88 MAPT (0.44) KDR
SCHEMBL10199818 0.85 DDR2 (0.55) KDRBRAFCSF1RDDR2FGFR1
SCHEMBL545887 0.84 KDR (0.51) KDRBRAFFGFR1SYK
SCHEMBL10199786 0.82 KDR (0.51) KDRBRAFFGFR1
SCHEMBL10199947 0.79 BRAF (0.47) KDRBRAF
SCHEMBL10199956 0.78 RAF1 (0.49) KDRBRAF
SCHEMBL10199733 0.78 KDR (0.42) KDRBRAF
SCHEMBL545637 0.78 KDR (0.52) KDRBRAFCSF1RDDR2GSK3B
SCHEMBL545010 0.76 KDR (0.50) KDRBRAFCSF1RDDR2GSK3B

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 KDR 1264/4885BRAF 215/4885CSF1R 3960/4885

“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.