SCHEMBL5240297

SCHEMBL5240297

CCCCNC(=O)c1c(C)n(C)c2cc(O)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.46
EGFR P00533 1/20 0.43
SRC P12931 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HTR4 Q13639 1/20 0.42
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
SPR P35270 1/20 0.41
GAA P10253 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BCL2 P10415 1/20 0.40
MCL1 Q07820 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL5240421 0.92 EGFR (0.44) NAAAEGFRSRCALDH1A1HTR4
SCHEMBL5240666 0.84 MAPT (0.48) EGFRSRCSMN1; SMN2ALDH1A1GAA
SCHEMBL5243351 0.82 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1TSHRHTTGAA
SCHEMBL5240829 0.81 EGFR (0.44) EGFRSRCSMN1; SMN2ALDH1A1SPR
SCHEMBL5242108 0.80 EGFR (0.49) EGFRSRCSMN1; SMN2TSHRHTT
SCHEMBL5241271 0.79 HTR4 (0.50) EGFRSRCHTR4GAABCL2
SCHEMBL5240393 0.77 HTR3A (0.47) EGFRSRCALDH1A1TSHRHTT
SCHEMBL5240295 0.77 MAPT (0.48) EGFRSRCSMN1; SMN2ALDH1A1GAA
SCHEMBL5242747 0.76 EGFR (0.46) EGFRSRCSMN1; SMN2ALDH1A1TSHR
SCHEMBL5240863 0.75 GAA (0.56) EGFRSRCSMN1; SMN2HTTSPR

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 7 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
CN-1671714-A Benzofused heteroaryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions comprising the same, and methods of use thereof PFIZER (US) 2005-09-21 CN 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

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 NAAA 1403/4885EGFR 1747/4885SRC 805/4885
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 NAAA 1403/4885EGFR 1747/4885SRC 805/4885
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 NAAA 1501/4885EGFR 2197/4885SRC 1056/4885

“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.