SCHEMBL4116471

SCHEMBL4116471

C#Cc1cccc(Nc2ncnc3cc(OCCO)c(OCCO)cc23)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.60
RET P07949 8/20 0.55
KIF5B P33176 4/20 0.55
ILK Q13418 2/20 0.54
KDR P35968 5/20 0.52
ERBB2 P04626 2/20 0.52
AURKB Q96GD4 2/20 0.52
GAK O14976 2/20 0.52
PLK4 O00444 1/20 0.52
CIT O14578 1/20 0.52
AURKA O14965 1/20 0.52
EPHB6 O15197 1/20 0.52
SLC22A1 O15245 1/20 0.52
DAPK3 O43293 1/20 0.52
RIPK2 O43353 1/20 0.52
BUB1 O43683 1/20 0.52
KDM1A O60341 1/20 0.52
JAK2 O60674 1/20 0.52
RPS6KA4 O75676 1/20 0.52
STK17B O94768 1/20 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
SCHEMBL3172507 0.90 EGFR (0.67) EGFRRETKIF5BILKKDR
SCHEMBL4127912 0.89 FBP1 (0.64) EGFRRETKIF5BILKKDR
Hydrochloric Acid SCHEMBL1507513 0.88 EGFR (0.63) EGFRRETKIF5BILKKDR
SCHEMBL1507462 0.86 RET (0.70) EGFRRETKIF5BILKKDR
Hydrochloric Acid SCHEMBL8681050 0.82 EGFR (0.57) EGFRRETKIF5BILKKDR
SCHEMBL16760388 0.82 RET (0.84) EGFRRETKIF5BKDRAURKB
SCHEMBL4736845 0.80 EGFR (0.66) EGFRRETILKKDRERBB2
Hydrochloric Acid SCHEMBL4877663 0.79 EGFR (0.66) EGFRRETILKKDRERBB2
SCHEMBL1507594 0.78 EGFR (0.89) EGFRRETILKKDRERBB2
SCHEMBL27719215 0.78 FBP1 (0.60) EGFRRETKIF5BILKKDR

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-20090047278-A1 Novel Combinational Use of Sulfonamide Compound EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-02-19 US disclosed
EP-1859793-A1 NOVEL COMBINATIONAL USE OF SULFONAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-11-28 EP 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 1/4885RET 15/4885KIF5B 1740/4885

“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.