SCHEMBL2607978

SCHEMBL2607978

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.74
EGFR P00533 17/20 0.73
ERBB2 P04626 7/20 0.73
GAK O14976 3/20 0.73
RIPK2 O43353 2/20 0.73
BUB1 O43683 2/20 0.73
STK10 O94804 2/20 0.73
ABL1 P00519 2/20 0.73
LCK P06239 2/20 0.73
LYN P07948 2/20 0.73
RET P07949 2/20 0.73
SRC P12931 2/20 0.73
FGFR2 P21802 2/20 0.73
FECH P22830 2/20 0.73
KDR P35968 2/20 0.73
FLT3 P36888 2/20 0.73
MAP3K1 Q13233 2/20 0.73
ABCG2 Q9UNQ0 2/20 0.73
ILK Q13418 2/20 0.73
PLK4 O00444 1/20 0.73

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
SCHEMBL1656960 0.93 FBP1 (0.85) FBP1EGFRERBB2GAKRIPK2
SCHEMBL2607976 0.92 EGFR (0.86) FBP1EGFRERBB2GAKRIPK2
SCHEMBL19235645 0.90 EGFR (0.71) FBP1EGFRERBB2GAKRIPK2
SCHEMBL13524618 0.88 EGFR (0.94) FBP1EGFRERBB2GAKRIPK2
SCHEMBL13524620 0.88 EGFR (0.94) FBP1EGFRERBB2GAKRIPK2
SCHEMBL4108602 0.87 FBP1 (0.84) FBP1EGFRERBB2GAKRIPK2
SCHEMBL12876988 0.87 FBP1 (0.70) FBP1EGFRERBB2GAKRIPK2
Hydrochloric Acid SCHEMBL1507613 0.86 EGFR (0.83) FBP1EGFRERBB2GAKRIPK2
SCHEMBL2607975 0.85 EGFR (0.72) FBP1EGFRERBB2GAKRIPK2
Erlotinib SCHEMBL417841 0.85 EGFR (0.98) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748453-B2 Substituted heterocyclic compounds as kinases inhibitors and methods of use thereof MEDOLUTION LIMITED (HK) 2014-06-10 US disclosed
US-20120101116-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS KINASES INHIBITORS AND METHODS OF USE THEREOF MEDOLUTION LIMITED (US) 2012-04-26 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-20120101116-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS KINASES INHIBITORS AND METHODS OF USE THEREOF MAP4K2, MAP3K7, MAP3K1 FBP1 1203/4885EGFR 1263/4885ERBB2 464/4885

“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.