SCHEMBL5243994

SCHEMBL5243994

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.48
SRC P12931 2/20 0.48
MTNR1A P48039 3/20 0.41
MTNR1B P49286 2/20 0.41
HIF1A Q16665 2/20 0.40
PLK1 P53350 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 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
SCHEMBL5241382 0.86 EGFR (0.48) EGFRSRCMTNR1AMTNR1BHIF1A
SCHEMBL5240965 0.82 EGFR (0.52) EGFRSRCMTNR1APLK1ALDH1A1
SCHEMBL5243259 0.81 MAPT (0.57) EGFRSRCMTNR1AHIF1APLK1
SCHEMBL14409918 0.81 EGFR (0.51) EGFRSRCMTNR1AHIF1APLK1
SCHEMBL5242155 0.81 POLB (0.53) EGFRSRCALDH1A1KDM4EHPGD
SCHEMBL5242989 0.79 EGFR (0.49) EGFRSRCMTNR1AMTNR1BHIF1A
SCHEMBL28062756 0.74 HIF1A (0.41) EGFRSRCHIF1AGAA
SCHEMBL17469272 0.74 MAPT (0.45) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27625860 0.73 EGFR (0.43) EGFRSRCALDH1A1KDM4EHPGD
SCHEMBL5241601 0.71 MEN1 (0.62) ALDH1A1KDM4EHSD17B10NPC1RAB9A

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 6 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
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 EGFR 1747/4885SRC 805/4885MTNR1A 2925/4885
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 805/4885MTNR1A 2925/4885
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 1056/4885MTNR1A 3245/4885

“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.