SCHEMBL4831098

SCHEMBL4831098

COc1ccc(C2=Nc3occc3C(N)N2c2cccc(N(C(N)=O)c3cc(C(F)(F)F)ccc3F)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTC4S Q16873 3/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ LTB4R2 Q9NPC1 1/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ CCKAR P32238 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ MEN1 O00255 1/20 0.31

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
SCHEMBL4836717 0.83 LTB4R2 (0.36) LTB4R2ABCB11PGRHTR1AADORA3
SCHEMBL4835207 0.80 KDM1A (0.34) —
SCHEMBL4831093 0.80 KDR (0.46) MEN1KMT2AKDRFLT1TEK
SCHEMBL4833146 0.79 BRAF (0.34) CYP3A4TEK
SCHEMBL4833598 0.79 KDR (0.34) KDRTEK
SCHEMBL4833155 0.77 L3MBTL1 (0.34) LMNAMEN1KMT2ANPBWR1GAA
SCHEMBL4831092 0.77 LTC4S (0.35) LTC4SCTDSP1ABCB11PGRHTR1A
SCHEMBL4833225 0.76 — —
SCHEMBL4826611 0.76 — —
SCHEMBL4833134 0.76 — —

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
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 — — US claimed
US-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 — — US claimed
EP-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 — — EP claimed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 — — WO claimed
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 — — US disclosed
US-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 — — US disclosed
US-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 — — US disclosed
EP-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 — — EP disclosed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 — — 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 (2 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-20050004142-A1 Chemical compounds TIE1, KDR, TEK LTC4S 753/4885CTDSP1 2496/4885LTB4R2 422/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR LTC4S 1362/4885CTDSP1 1617/4885LTB4R2 562/4885

“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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