SCHEMBL4833648

SCHEMBL4833648

COc1ccc(C2=Nc3occc3C(N)N2c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA4 P22748 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ABAT P80404 1/20 0.34
▸ APP P05067 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ PTGS1 P23219 3/20 0.33
▸ PTGS2 P35354 3/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MAPK14 Q16539 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CYP19A1 P11511 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
SCHEMBL4833690 0.95 ALDH1A1 (0.40) CA1CA2CA4ALDH1A1CA7
SCHEMBL4829275 0.92 NPBWR1 (0.36) POLB
SCHEMBL4835855 0.92 MAOB (0.36) CA1CA2CA4ALDH1A1CA7
SCHEMBL4831217 0.92 NPBWR1 (0.36) CA1CA2CA4ALDH1A1CA7
SCHEMBL4836550 0.92 MAPT (0.41) CA1CA2CA4ALDH1A1CA7
SCHEMBL4826539 0.92 MAPT (0.41) CA1CA2CA4ALDH1A1CA7
SCHEMBL4829336 0.92 LTA4H (0.39) ABATGFERHSD11B1RAB9A
SCHEMBL4834446 0.92 CYP1A1 (0.35) CA1CA2CA4ALDH1A1CA7
SCHEMBL4836556 0.91 CHRNA7 (0.35) PTGS1PTGS2
SCHEMBL4829033 0.91 MAPKAPK2 (0.43) CA1CA2ALDH1A1CA9

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 CA1 4775/4885CA2 2721/4885CA4 2573/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR CA1 4873/4885CA2 3685/4885CA4 4004/4885

“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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