SCHEMBL545354

SCHEMBL545354

CNC(=O)c1cc(Oc2ccc3c(c2)C=C(C(=O)Nc2ccc(CN)c(C(F)(F)F)c2)CO3)ccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.59
BRAF P15056 10/20 0.59
SRC P12931 3/20 0.54
KDR P35968 5/20 0.51
MAPK14 Q16539 4/20 0.51
MAP3K20 Q9NYL2 4/20 0.51
RET P07949 4/20 0.51
ABL1 P00519 4/20 0.51
TEK Q02763 3/20 0.51
EPHA2 P29317 3/20 0.51
NTRK2 Q16620 3/20 0.51
EPHX2 P34913 3/20 0.51
AURKB Q96GD4 3/20 0.51
RIPK2 O43353 2/20 0.51
ABCB11 O95342 2/20 0.51
HTR1A P08908 2/20 0.51
PDGFRB P09619 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
KIT P10721 2/20 0.51
FGFR1 P11362 2/20 0.51

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
SCHEMBL545589 0.86 BRAF (0.60) RAF1BRAFSRCKDRMAPK14
SCHEMBL545309 0.79 RAF1 (0.63) RAF1BRAFSRCKDRMAPK14
SCHEMBL5438830 0.79 KDR (0.62) RAF1BRAFSRCKDRMAPK14
SCHEMBL5423039 0.77 BRAF (0.60) RAF1BRAFSRCKDRMAPK14
SCHEMBL5423862 0.76 KDR (0.54) RAF1BRAFSRCKDRMAPK14
SCHEMBL545427 0.75 RAF1 (1.00) RAF1BRAFSRCKDRMAPK14
SCHEMBL3541813 0.74 RAF1 (0.79) RAF1BRAFSRCKDRMAPK14
SCHEMBL3540263 0.74 RAF1 (0.58) RAF1BRAFSRCKDRMAPK14
SCHEMBL3540267 0.74 RAF1 (0.58) RAF1BRAFSRCKDRMAPK14
SCHEMBL10199839 0.73 RAF1 (0.48) RAF1BRAFSRCKDRMAPK14

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 198/4885BRAF 215/4885SRC 180/4885

“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.