SCHEMBL545457

SCHEMBL545457

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCc2ccc(Oc3ccnc(C4=NCCN4)c3)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.49
RAF1 P04049 8/20 0.48
BRAF P15056 5/20 0.47
FLT1 P17948 2/20 0.47
GPR142 Q7Z601 1/20 0.44
MEN1 O00255 1/20 0.44
PLK4 O00444 1/20 0.44
CIT O14578 1/20 0.44
AURKA O14965 1/20 0.44
MUSK O15146 1/20 0.44
EPHB6 O15197 1/20 0.44
MAPK13 O15264 1/20 0.44
MLNR O43193 1/20 0.44
MAP3K7 O43318 1/20 0.44
RIPK2 O43353 1/20 0.44
DYRK3 O43781 1/20 0.44
PDE6D O43924 1/20 0.44
NR1I2 O75469 1/20 0.44
STK10 O94804 1/20 0.44
CDK14 O94921 1/20 0.44

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
SCHEMBL5436422 0.85 BRAF (0.55) KDRRAF1BRAFFLT1MEN1
SCHEMBL14493366 0.84 RAF1 (0.67) KDRRAF1BRAFFLT1GPR142
SCHEMBL545164 0.83 RAF1 (0.56) KDRRAF1BRAFFLT1
SCHEMBL545061 0.83 KDR (0.69) KDRRAF1BRAF
SCHEMBL545771 0.82 RAF1 (0.68) KDRRAF1BRAFFLT1MEN1
SCHEMBL3413370 0.82 RAF1 (0.68) KDRRAF1BRAFFLT1MEN1
SCHEMBL545179 0.82 BRAF (0.70) KDRRAF1BRAF
SCHEMBL547123 0.82 BRAF (0.70) KDRRAF1BRAF
SCHEMBL545791 0.82 BRAF (0.70) KDRRAF1BRAF
Hydrochloric Acid SCHEMBL547568 0.81 BRAF (0.69) KDRRAF1BRAF

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 1264/4885RAF1 198/4885BRAF 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.