SCHEMBL256391

SCHEMBL256391

C#Cc1cccc(Nc2ncnc3cc(CC(=O)O)c(CC(=O)O)cc23)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.61
FBP1 P09467 2/20 0.61
GAK O14976 4/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
ERBB2 P04626 5/20 0.58
RIPK2 O43353 3/20 0.58
BUB1 O43683 3/20 0.58
STK10 O94804 3/20 0.58
MAP3K1 Q13233 3/20 0.58
PIP4K2C Q8TBX8 2/20 0.58
SLK Q9H2G2 2/20 0.58
AURKA O14965 2/20 0.58
ABL1 P00519 2/20 0.58
LCK P06239 2/20 0.58
LYN P07948 2/20 0.58
RET P07949 2/20 0.58
SRC P12931 2/20 0.58
FGFR2 P21802 2/20 0.58
FECH P22830 2/20 0.58

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
SCHEMBL256396 0.80 EGFR (0.69) EGFRFBP1GAKALDH1A1MAPT
SCHEMBL1507688 0.80 EGFR (0.71) EGFRFBP1GAKALDH1A1MAPT
SCHEMBL1507566 0.80 FBP1 (0.74) EGFRFBP1GAKALDH1A1MAPT
SCHEMBL12426823 0.79 EGFR (0.69) EGFRFBP1GAKALDH1A1MAPT
Hydrochloric Acid SCHEMBL3873473 0.79 EGFR (0.67) EGFRFBP1GAKALDH1A1MAPT
SCHEMBL1507686 0.79 FBP1 (0.64) EGFRFBP1GAKALDH1A1MAPT
Erlotinib SCHEMBL2034496 0.78 EGFR (0.87) EGFRFBP1GAKALDH1A1MAPT
SCHEMBL1507752 0.78 FBP1 (0.60) EGFRFBP1GAKALDH1A1MAPT
SCHEMBL28407487 0.78 EGFR (0.69) EGFRFBP1GAKALDH1A1MAPT
SCHEMBL4356364 0.78 EGFR (0.69) EGFRFBP1GAKALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012028861-A1 PURE ERLOTINIB GENERICS [UK] LIMITED (GB) 2012-03-08 WO disclosed
US-7960545-B2 Process for the prepartion of erlotinib NATCO PHARMA LIMITED (IN) 2011-06-14 US disclosed
US-20090306377-A1 NOVEL PROCESS FOR THE PREPARTION OF ERLOTINIB NATCO PHARMA LIMITED (IN) 2009-12-10 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-20090306377-A1 NOVEL PROCESS FOR THE PREPARTION OF ERLOTINIB ERBB4, ABL1, KRAS EGFR 4/4885FBP1 2558/4885GAK 889/4885

“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.