SCHEMBL545498

SCHEMBL545498

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnc2ccc(Oc3ccnc(-c4ncc(CO)[nH]4)c3)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 14/20 0.59
KDR P35968 8/20 0.48
FLT1 P17948 2/20 0.48
BRAF P15056 3/20 0.46
MEN1 O00255 1/20 0.45
PLK4 O00444 1/20 0.45
CIT O14578 1/20 0.45
AURKA O14965 1/20 0.45
MUSK O15146 1/20 0.45
EPHB6 O15197 1/20 0.45
MAPK13 O15264 1/20 0.45
MLNR O43193 1/20 0.45
MAP3K7 O43318 1/20 0.45
RIPK2 O43353 1/20 0.45
DYRK3 O43781 1/20 0.45
PDE6D O43924 1/20 0.45
NR1I2 O75469 1/20 0.45
STK10 O94804 1/20 0.45
CDK14 O94921 1/20 0.45
ABCB11 O95342 1/20 0.45

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
SCHEMBL545674 0.91 RAF1 (0.60) RAF1KDRFLT1BRAFMEN1
SCHEMBL5418586 0.83 RAF1 (0.51) RAF1KDRFLT1BRAFMEN1
SCHEMBL5435304 0.82 RAF1 (0.48) RAF1KDRFLT1BRAFLCK
SCHEMBL5430266 0.80 KDR (0.55) RAF1KDRFLT1BRAFMEN1
SCHEMBL545663 0.80 RAF1 (0.55) RAF1KDRFLT1BRAFMEN1
SCHEMBL3550714 0.79 RAF1 (0.66) RAF1KDRFLT1BRAFRET
SCHEMBL5425682 0.78 KDR (0.42) RAF1KDRFLT1BRAFMAP3K7
SCHEMBL546335 0.77 RAF1 (0.66) RAF1KDRBRAF
SCHEMBL545164 0.77 RAF1 (0.56) RAF1KDRFLT1BRAF
SCHEMBL544981 0.77 KDR (0.43) RAF1KDRFLT1BRAFMAP3K7

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 RAF1 198/4885KDR 1264/4885FLT1 1892/4885

“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.