SCHEMBL13529089

SCHEMBL13529089

CCc1cc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)ccc1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 12/20 0.72
KDR P35968 7/20 0.72
BRAF P15056 5/20 0.72
RET P07949 4/20 0.72
MAPK14 Q16539 4/20 0.72
EPHX2 P34913 4/20 0.72
ABL1 P00519 3/20 0.72
EPHA2 P29317 3/20 0.72
MAP3K20 Q9NYL2 3/20 0.72
AURKB Q96GD4 3/20 0.72
SRC P12931 3/20 0.72
PLK4 O00444 2/20 0.72
AURKA O14965 2/20 0.72
MAPK13 O15264 2/20 0.72
MAP4K4 O95819 2/20 0.72
LCK P06239 2/20 0.72
FYN P06241 2/20 0.72
LYN P07948 2/20 0.72
RPS6KB1 P23443 2/20 0.72
AXL P30530 2/20 0.72

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
SCHEMBL10201086 0.92 RAF1 (0.73) RAF1KDRBRAFRETMAPK14
SCHEMBL22594900 0.88 RAF1 (0.75) RAF1KDRBRAFRETMAPK14
SCHEMBL10324287 0.88 RAF1 (0.75) RAF1KDRBRAFRETMAPK14
SCHEMBL257980 0.87 RAF1 (0.82) RAF1KDRBRAFRETMAPK14
SCHEMBL16620832 0.86 RAF1 (0.74) RAF1KDRBRAFRETMAPK14
SCHEMBL14481178 0.85 RAF1 (0.71) RAF1KDRBRAFRETMAPK14
Sorafenib SCHEMBL15921371 0.85 RAF1 (0.93) RAF1KDRBRAFRETMAPK14
SCHEMBL12500806 0.84 RAF1 (0.73) RAF1KDRBRAFRETMAPK14
Sorafenib SCHEMBL8218 0.84 RAF1 (1.00) RAF1KDRBRAFRETMAPK14
Sorafenib SCHEMBL29349634 0.84 RAF1 (1.00) RAF1KDRBRAFRETMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-7417055-B2 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-08-26 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 (2 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-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS PIK3CA, PNKP, PIK3CB RAF1 320/4885KDR 860/4885BRAF 378/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN RAF1 1304/4885KDR 1628/4885BRAF 474/4885

“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.