SCHEMBL10200858

SCHEMBL10200858

Cc1cnc(-c2cc(Oc3ccc4ncc(C(=O)Nc5cc(OCCN6CCCC6)cc(C(F)(F)F)c5)cc4c3)ccn2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.55
BRAF P15056 7/20 0.45
CYP3A4 P08684 1/20 0.43
RAF1 P04049 8/20 0.40
FGFR1 P11362 2/20 0.40
SRC P12931 2/20 0.39
JAK2 O60674 1/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
STK25 O00506 1/20 0.39
CIT O14578 1/20 0.39
EPHB6 O15197 1/20 0.39
MAP3K7 O43318 1/20 0.39
RIPK2 O43353 1/20 0.39
PAK3 O75914 1/20 0.39
STK10 O94804 1/20 0.39
MAP4K4 O95819 1/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 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
SCHEMBL5422272 0.90 KDR (0.53) KDRBRAFRAF1FGFR1SRC
SCHEMBL5423110 0.90 KDR (0.54) KDRBRAFCYP3A4RAF1FGFR1
SCHEMBL545902 0.87 KDR (0.53) KDRBRAFFGFR1SRCJAK2
SCHEMBL10200860 0.87 KDR (0.52) KDRBRAFRAF1FGFR1SRC
SCHEMBL5425709 0.86 KDR (0.55) KDRBRAFRAF1FGFR1HTR2A
SCHEMBL545790 0.86 KDR (0.52) KDRBRAFRAF1FGFR1SRC
SCHEMBL545035 0.85 KDR (0.70) KDRBRAFRAF1FGFR1SRC
SCHEMBL546655 0.78 KDR (0.49) KDRBRAFFGFR1SRCJAK2
SCHEMBL546100 0.78 KDR (0.49) KDRBRAFFGFR1SRCJAK2
SCHEMBL10199786 0.78 KDR (0.51) KDRBRAFFGFR1SRCJAK2

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 KDR 1264/4885BRAF 215/4885CYP3A4 3260/4885

“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.