SCHEMBL545570

SCHEMBL545570

CNC(=O)c1cc(Oc2ccc3ccc(C(=O)Nc4cc(C(F)(F)F)ccc4OCCN4CCNCC4)cc3c2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 1/20 0.53
RAF1 P04049 7/20 0.51
KDR P35968 3/20 0.49
MAPK14 Q16539 3/20 0.46
CREBBP Q92793 1/20 0.45
BRAF P15056 6/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
FGFR1 P11362 1/20 0.44
KCNH2 Q12809 1/20 0.44
MAP3K20 Q9NYL2 2/20 0.43
SRC P12931 2/20 0.43
PLK4 O00444 1/20 0.43
AURKA O14965 1/20 0.43
MAPK13 O15264 1/20 0.43
JAK2 O60674 1/20 0.43
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43
LCK P06239 1/20 0.43

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
SCHEMBL14453616 0.86 RAF1 (0.70) DDR2RAF1KDRMAPK14BRAF
SCHEMBL169261 0.85 DDR2 (0.74) DDR2RAF1KDRMAPK14BRAF
SCHEMBL545856 0.81 RAF1 (0.59) DDR2RAF1KDRBRAFSRC
SCHEMBL545483 0.81 HTR2A (0.44) KDRKDM4EHTTKMT2AFGFR1
SCHEMBL546211 0.80 KDR (0.68) RAF1KDRMAPK14BRAFFGFR1
SCHEMBL14453610 0.80 RAF1 (0.73) DDR2RAF1KDRMAPK14BRAF
SCHEMBL14453611 0.78 RAF1 (0.70) DDR2RAF1KDRMAPK14BRAF
SCHEMBL170968 0.78 DDR2 (0.68) DDR2RAF1KDRMAPK14BRAF
SCHEMBL16990634 0.77 DDR2 (0.62) DDR2RAF1KDRBRAFKDM4E
SCHEMBL171038 0.76 DDR2 (0.66) DDR2RAF1KDRMAPK14MAP3K20

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 2 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-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 DDR2 1545/4885RAF1 198/4885KDR 1264/4885

“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.