SCHEMBL5240482

SCHEMBL5240482

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.45
▸ SRC P12931 5/20 0.45
▸ KCNJ11 Q14654 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ ALOX5 P09917 2/20 0.33
▸ TTR P02766 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ P2RX1 P51575 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ PKMYT1 Q99640 1/20 0.32

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
SCHEMBL27625860 0.84 EGFR (0.43) EGFRSRCALOX5KDM4EALDH1A1
SCHEMBL5243994 0.83 EGFR (0.48) EGFRSRCKDM4EALDH1A1RAB9A
SCHEMBL5242108 0.80 EGFR (0.49) EGFRSRCJAK2JAK1TYK2
SCHEMBL5241246 0.79 EGFR (0.51) EGFRSRCJAK2JAK1TYK2
SCHEMBL5240488 0.77 EGFR (0.46) EGFRSRCJAK2JAK1TYK2
SCHEMBL28062862 0.69 ENPP2 (0.43) ALDH1A1
SCHEMBL5243463 0.69 MEN1 (0.44) EGFRSRCJAK2JAK1TYK2
SCHEMBL29976910 0.67 TTR (0.39) EGFRSRCKCNJ11TTRKDM4E
SCHEMBL5241310 0.67 NR4A2 (0.55) EGFRSRCKDM4EALDH1A1
SCHEMBL28062756 0.67 HIF1A (0.41) EGFRSRCALOX5

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 9 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
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 805/4885KCNJ11 1347/4885
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 805/4885KCNJ11 1347/4885
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 1056/4885KCNJ11 1571/4885

“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.

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