SCHEMBL4829127

SCHEMBL4829127

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 2/20 0.39
▸ CA9 Q16790 6/20 0.38
▸ CA1 P00915 8/20 0.37
▸ CA2 P00918 8/20 0.37
▸ MAOB P27338 3/20 0.35
▸ MAOA P21397 2/20 0.35
▸ CA12 O43570 2/20 0.34
▸ BMPR1A P36894 1/20 0.34
▸ ACVR1 Q04771 1/20 0.34
▸ LRRK2 Q5S007 4/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CA13 Q8N1Q1 3/20 0.33
▸ PTGS2 P35354 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
SCHEMBL4833912 0.87 PTGS2 (0.36) CA9CA1CA2MAOBMAOA
SCHEMBL4833306 0.85 CA9 (0.45) CA9CA1CA2CA12BMPR1A
SCHEMBL4836662 0.85 CA1 (0.41) CA9CA1CA2CA12CA4
SCHEMBL4833707 0.84 LRRK2 (0.39) PDPK1CA9CA1CA2LRRK2
SCHEMBL4831042 0.82 MAOB (0.36) CA9CA1CA2MAOBMAOA
SCHEMBL4837039 0.82 CA1 (0.53) CA9CA1CA2CA12
SCHEMBL4833593 0.77 CA12 (0.54) CA9CA1CA2CA12PTGS2
SCHEMBL4833598 0.76 KDR (0.34) CA9CA1CA2CA12PTGS2
SCHEMBL4831217 0.76 NPBWR1 (0.36) CA1CA2CA4CA7
SCHEMBL4829323 0.72 KDM1A (0.42) PKM

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 PDPK1 605/4885CA9 3157/4885CA1 4775/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR PDPK1 911/4885CA9 4426/4885CA1 4873/4885

“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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