SCHEMBL4833912

SCHEMBL4833912

CCS(=O)(=O)c1ccc(-c2ccc(N3C(c4cccc(S(N)(=O)=O)c4)=Nc4occc4C3N)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.36
▸ MAOB P27338 3/20 0.35
▸ MAOA P21397 2/20 0.35
▸ BMPR1A P36894 1/20 0.34
▸ ACVR1 Q04771 1/20 0.34
▸ LRRK2 Q5S007 8/20 0.33
▸ CA2 P00918 5/20 0.33
▸ CA9 Q16790 4/20 0.33
▸ CA1 P00915 4/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA13 Q8N1Q1 3/20 0.33

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
SCHEMBL4829127 0.87 PDPK1 (0.39) PTGS2MAOBMAOABMPR1AACVR1
SCHEMBL4833306 0.85 CA9 (0.45) PTGS2BMPR1AACVR1LRRK2CA2
SCHEMBL4836662 0.85 CA1 (0.41) PTGS2CA2CA9CA1CA12
SCHEMBL4831042 0.82 MAOB (0.36) PTGS2MAOBMAOABMPR1AACVR1
SCHEMBL4837039 0.82 CA1 (0.53) CA2CA9CA1CA12
SCHEMBL4829323 0.72 KDM1A (0.42) —
SCHEMBL4833593 0.72 CA12 (0.54) PTGS2CA2CA9CA1CA12
SCHEMBL4833300 0.70 CACNA1G (0.36) —
SCHEMBL4826492 0.70 KDR (0.42) PTGS2ACVR1
SCHEMBL4825912 0.69 KMT2A (0.38) PTGS2CA2CA9CA1

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 PTGS2 110/4885MAOB 1573/4885MAOA 2677/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR PTGS2 205/4885MAOB 1897/4885MAOA 3188/4885

“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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