SCHEMBL4108602

SCHEMBL4108602

C#Cc1cccc(Nc2ncnc3cc(OCCCC)c(OCCCC)cc23)c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.84
EGFR P00533 17/20 0.82
ERBB2 P04626 7/20 0.82
GAK O14976 3/20 0.82
RIPK2 O43353 2/20 0.82
BUB1 O43683 2/20 0.82
STK10 O94804 2/20 0.82
ABL1 P00519 2/20 0.82
LCK P06239 2/20 0.82
LYN P07948 2/20 0.82
RET P07949 2/20 0.82
SRC P12931 2/20 0.82
FGFR2 P21802 2/20 0.82
FECH P22830 2/20 0.82
KDR P35968 2/20 0.82
FLT3 P36888 2/20 0.82
MAP3K1 Q13233 2/20 0.82
PLK4 O00444 1/20 0.82
CIT O14578 1/20 0.82
AURKA O14965 1/20 0.82

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
Hydrochloric Acid SCHEMBL1507613 0.99 EGFR (0.83) FBP1EGFRERBB2GAKRIPK2
SCHEMBL14092504 0.95 EGFR (0.92) FBP1EGFRERBB2GAKRIPK2
SCHEMBL14092503 0.95 EGFR (0.92) FBP1EGFRERBB2GAKRIPK2
SCHEMBL1656960 0.94 FBP1 (0.85) FBP1EGFRERBB2GAKRIPK2
SCHEMBL13773439 0.92 EGFR (0.90) FBP1EGFRERBB2GAKRIPK2
SCHEMBL29577864 0.91 EGFR (0.79) FBP1EGFRERBB2GAKRIPK2
SCHEMBL4123388 0.91 FBP1 (1.00) FBP1EGFRERBB2GAKRIPK2
Erlotinib SCHEMBL3667407 0.90 EGFR (1.00) FBP1EGFRERBB2GAKRIPK2
Erlotinib SCHEMBL30362833 0.90 EGFR (1.00) FBP1EGFRERBB2GAKRIPK2
SCHEMBL13413785 0.90 EGFR (0.80) FBP1EGFRERBB2GAKRIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090047278-A1 Novel Combinational Use of Sulfonamide Compound EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-02-19 US disclosed
CN-101163468-A Novel combination of sulfonamide compounds EISAI R&D MAN CO LTD (JP) 2008-04-16 CN disclosed
EP-1859793-A1 NOVEL COMBINATIONAL USE OF SULFONAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-11-28 EP disclosed
CN-1066142-C Quinazoline derivatives PFIZER (US) 2001-05-23 CN disclosed
CN-1137037-A Quinazoline derivatives PFIZER (US) 1996-12-04 CN 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-20090047278-A1 Novel Combinational Use of Sulfonamide Compound EGFR, KIT, ERBB2 FBP1 2793/4885EGFR 1/4885ERBB2 3/4885

“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.