SCHEMBL4833905

SCHEMBL4833905

CCS(=O)(=O)c1ccc(-c2ccc(N3C(N)=c4ccoc4=NC3c3cccc(S(N)(=O)=O)c3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CA2 P00918 8/20 0.32
▸ CA1 P00915 7/20 0.32
▸ CA9 Q16790 5/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ CA4 P22748 2/20 0.30
▸ CA7 P43166 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ CA12 O43570 2/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 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
SCHEMBL4829122 0.88 PDPK1 (0.38) CYP2D6POLBCA2CA1CA9
SCHEMBL4836651 0.84 CA1 (0.40) PTGS2CA2CA1CA9CA4
SCHEMBL4837035 0.82 CA9 (0.47) PTGS2CA2CA1CA9CA12
SCHEMBL4833719 0.79 LRRK2 (0.33) PTGS2CA2CA1CA9CA4
SCHEMBL4833484 0.71 HSD11B1 (0.43) PTGS2POLBKDM4EMAPK1
SCHEMBL4825906 0.70 ALDH1A1 (0.39) PTGS2POLBCA2CA1CA9
SCHEMBL4833912 0.69 PTGS2 (0.36) PTGS2CA2CA1CA9CA4
SCHEMBL4831432 0.69 PTGS2 (0.45) PTGS2CYP2D6POLBCA2CA1
SCHEMBL4835178 0.66 ACSS2 (0.37) POLBKDM4ETSHRSMN1; SMN2
SCHEMBL4833405 0.66 PGR (0.54) KDM4ESMN1; SMN2MAPK1MAOA

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 110/4885CYP2D6 2559/4885POLB 928/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR PTGS2 205/4885CYP2D6 1693/4885POLB 1327/4885

“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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