SCHEMBL4831092

SCHEMBL4831092

COc1ccc(C2N=c3occc3=C(N)N2c2cccc(N(C(N)=O)c3cc(C(F)(F)F)ccc3F)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTC4S Q16873 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ RECQL P46063 1/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ ABCB11 O95342 1/20 0.30
▸ PGR P06401 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ CCKAR P32238 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ HTR2B P41595 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ SCN5A Q14524 1/20 0.30

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
SCHEMBL4828855 0.92 LTC4S (0.34) LTC4SALDH1A1
SCHEMBL4836724 0.83 LTB4R2 (0.33) LTC4SALDH1A1RECQLTSHRLMNA
SCHEMBL4833137 0.79 CYP3A4 (0.32) —
SCHEMBL4833605 0.79 KDR (0.33) —
SCHEMBL4833165 0.78 ALDH1A1 (0.38) ALDH1A1HSD17B10GAAKDM4ENPBWR1
SCHEMBL4831098 0.77 LTC4S (0.34) LTC4SRECQLHSD17B10TSHRLMNA
SCHEMBL4828870 0.76 KDR (0.51) SMN1; SMN2MAPT
SCHEMBL4834275 0.76 ALDH1A1 (0.40) ALDH1A1LMNAMAPTNPBWR1MCHR1
SCHEMBL4826615 0.76 KDR (0.31) —
SCHEMBL4833213 0.76 KDR (0.31) —

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 753/4885ALDH1A1 906/4885RECQL 1092/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR LTC4S 1362/4885ALDH1A1 1144/4885RECQL 563/4885

“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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