SCHEMBL20739472

SCHEMBL20739472

CNC(=O)c1cc(Oc2ccc(C)c(S)c2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.59
BRAF P15056 12/20 0.54
RAF1 P04049 7/20 0.54
EPHX2 P34913 3/20 0.54
PLK4 O00444 2/20 0.52
AURKA O14965 2/20 0.52
MAPK13 O15264 2/20 0.52
MAP4K4 O95819 2/20 0.52
ABL1 P00519 2/20 0.52
LCK P06239 2/20 0.52
FYN P06241 2/20 0.52
LYN P07948 2/20 0.52
RET P07949 2/20 0.52
SRC P12931 2/20 0.52
RPS6KB1 P23443 2/20 0.52
EPHA2 P29317 2/20 0.52
AXL P30530 2/20 0.52
FRK P42685 2/20 0.52
MAPK9 P45984 2/20 0.52
BLK P51451 2/20 0.52

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
SCHEMBL6014811 0.88 KDR (0.63) KDRBRAFRAF1EPHX2PLK4
SCHEMBL8738426 0.84 KDR (0.59) KDRBRAFRAF1EPHX2PLK4
SCHEMBL12391452 0.84 KDR (0.59) KDRBRAFRAF1EPHX2PLK4
SCHEMBL6014190 0.84 KDR (0.59) KDRBRAFRAF1EPHX2PLK4
SCHEMBL12355381 0.84 KDR (0.59) KDRBRAFRAF1EPHX2PLK4
SCHEMBL167964 0.83 KDR (0.68) KDRBRAFRAF1EPHX2PLK4
SCHEMBL13648151 0.82 KDR (0.57) KDRBRAFRAF1EPHX2PLK4
SCHEMBL618015 0.82 KDR (0.59) KDRBRAFRAF1EPHX2PLK4
SCHEMBL14402761 0.81 KDR (0.56) KDRBRAFRAF1EPHX2PLK4
Hydrochloric Acid SCHEMBL621069 0.81 KDR (0.58) KDRBRAFRAF1EPHX2PLK4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190046650-A1 CELLULAR SIGNALLING INHIBITORS, THEIR FORMULATIONS AND METHODS THEREOF INVICTUS ONCOLOGY PVT. LTD. (IN) 2019-02-14 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-20190046650-A1 CELLULAR SIGNALLING INHIBITORS, THEIR FORMULATIONS AND METHODS THEREOF CSF1R, CSF3R, MSR1 KDR 1088/4885BRAF 355/4885RAF1 528/4885

“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.