SCHEMBL4110241

SCHEMBL4110241

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.78
GAK O14976 4/20 0.78
FBP1 P09467 2/20 0.78
ALDH1A1 P00352 1/20 0.78
MAPT P10636 1/20 0.78
ERBB2 P04626 7/20 0.70
RIPK2 O43353 3/20 0.70
BUB1 O43683 3/20 0.70
STK10 O94804 3/20 0.70
MAP3K1 Q13233 3/20 0.70
ABCG2 Q9UNQ0 2/20 0.70
ILK Q13418 2/20 0.70
PIP4K2C Q8TBX8 2/20 0.70
SLK Q9H2G2 2/20 0.70
ABL1 P00519 2/20 0.70
LCK P06239 2/20 0.70
LYN P07948 2/20 0.70
RET P07949 2/20 0.70
SRC P12931 2/20 0.70
FGFR2 P21802 2/20 0.70

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 SCHEMBL1507683 0.99 EGFR (0.76) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL3114206 0.91 EGFR (0.78) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL22336879 0.91 EGFR (0.87) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL667895 0.87 EGFR (1.00) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL27369674 0.87 EGFR (0.63) EGFRGAKFBP1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1507455 0.86 EGFR (0.98) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL1507724 0.86 FBP1 (0.61) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL4123388 0.85 FBP1 (1.00) EGFRGAKFBP1ALDH1A1MAPT
Erlotinib SCHEMBL13087138 0.85 EGFR (0.85) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL1507752 0.85 FBP1 (0.60) EGFRGAKFBP1ALDH1A1MAPT

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 EGFR 1/4885GAK 869/4885FBP1 2793/4885

“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.