SCHEMBL24535454

SCHEMBL24535454

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

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.94
ERBB2 P04626 7/20 0.94
GAK O14976 3/20 0.94
KDR P35968 3/20 0.94
FLT1 P17948 2/20 0.94
RIPK2 O43353 2/20 0.94
BUB1 O43683 2/20 0.94
STK10 O94804 2/20 0.94
ABL1 P00519 2/20 0.94
LCK P06239 2/20 0.94
LYN P07948 2/20 0.94
RET P07949 2/20 0.94
SRC P12931 2/20 0.94
FGFR2 P21802 2/20 0.94
FECH P22830 2/20 0.94
FLT3 P36888 2/20 0.94
MAP3K1 Q13233 2/20 0.94
ILK Q13418 2/20 0.94
PLK4 O00444 1/20 0.94
CIT O14578 1/20 0.94

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
SCHEMBL2129452 1.00 EGFR (0.94) EGFRERBB2GAKKDRFLT1
Erlotinib SCHEMBL29351329 0.97 EGFR (1.00) EGFRERBB2GAKKDRFLT1
Erlotinib SCHEMBL30362833 0.97 EGFR (1.00) EGFRERBB2GAKKDRFLT1
Erlotinib SCHEMBL8413 0.97 EGFR (1.00) EGFRERBB2GAKKDRFLT1
Erlotinib SCHEMBL3667407 0.97 EGFR (1.00) EGFRERBB2GAKKDRFLT1
Erlotinib SCHEMBL16767632 0.96 EGFR (1.00) EGFRERBB2GAKKDRFLT1
Erlotinib SCHEMBL417841 0.96 EGFR (0.98) EGFRERBB2GAKKDRFLT1
Erlotinib SCHEMBL21176918 0.96 EGFR (1.00) EGFRERBB2GAKKDRFLT1
Erlotinib SCHEMBL18563 0.96 EGFR (1.00) EGFRERBB2GAKKDRFLT1
Erlotinib SCHEMBL1959332 0.96 EGFR (0.98) EGFRERBB2GAKKDRFLT1

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-20230063768-A1 IMMUNOPHILIN BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-03-02 US disclosed
US-20220193242-A1 IMMUNOPHILIN-DEPENDENT INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-06-23 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-20220193242-A1 IMMUNOPHILIN-DEPENDENT INHIBITORS AND USES THEREOF CD74, CD2BP2, SERPINB1 EGFR 3898/4885ERBB2 3502/4885GAK 3223/4885
US-20230063768-A1 IMMUNOPHILIN BINDING AGENTS AND USES THEREOF PMP22, MAG, FABP7 EGFR 3726/4885ERBB2 3924/4885GAK 3887/4885

“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.