SCHEMBL5240965

SCHEMBL5240965

CNC(=O)c1c(C)n(C)c2cc(OC)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.52
SRC P12931 1/20 0.52
MAPT P10636 9/20 0.50
GAA P10253 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 2/20 0.49
POLB P06746 3/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 1/20 0.44
PLK1 P53350 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL5244875 0.86 MEN1 (0.52) EGFRSRCMAPTGAASMN1; SMN2
SCHEMBL14409918 0.85 EGFR (0.51) EGFRSRCMAPTGAASMN1; SMN2
SCHEMBL5243259 0.85 MAPT (0.57) EGFRSRCMAPTGAASMN1; SMN2
SCHEMBL5240011 0.84 KDM4E (0.59) EGFRSRCMAPTGAASMN1; SMN2
SCHEMBL1617677 0.84 KDR (0.52)
SCHEMBL5241531 0.83 HTR3A (0.50) EGFRSRCMAPTGAASMN1; SMN2
SCHEMBL5240295 0.83 MAPT (0.48) EGFRSRCMAPTGAASMN1; SMN2
SCHEMBL14409897 0.83 PLA2G2A (0.50) EGFRSRCMAPTGAASMN1; SMN2
SCHEMBL5242989 0.83 EGFR (0.49) EGFRSRCALDH1A1NPC1KDM4E
SCHEMBL5241601 0.83 MEN1 (0.62) MAPTALDH1A1NPC1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515975-B1 BENZOFUSED HETEROARYL AMIDE DERIVATIVES OF THIENOPYRIDINES USEFUL AS THERAPEUTIC AGENTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE SAME, AND METHODS FOR THEIR USE PFIZER (US) 2007-09-19 EP disclosed
US-7045528-B2 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-20060079548-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. 2006-04-13 US disclosed
EP-1515975-A1 BENZOFUSED HETEROARYL AMIDE DERIVATIVES OF THIENOPYRIDINES USEFUL AS THERAPEUTIC AGENTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE SAME, AND METHODS FOR THEIR USE PFIZER INC. (US) 2005-03-23 EP disclosed
US-6869962-B2 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-03-22 US disclosed
US-20040186126-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-09-23 US disclosed
US-20040009965-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-01-15 US disclosed
WO-2003106462-A1 BENZOFUSED HETEROARYL AMIDE DERIVATIVES OF THIENOPYRIDINES USEFUL AS THERAPEUTIC AGENTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE SAME, AND METHODS FOR THEIR USE PFIZER INC. (US) 2003-12-24 WO 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 (3 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-20040186126-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use DPYD, DHFR, TYMP EGFR 1747/4885SRC 805/4885MAPT 4317/4885
US-20040009965-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use DPYD, DHFR, TYMP EGFR 1747/4885SRC 805/4885MAPT 4317/4885
US-20060079548-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use TPD52L2, DPYD, CCND2 EGFR 2197/4885SRC 1056/4885MAPT 4234/4885

“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.