SCHEMBL4835654

SCHEMBL4835654

COc1ccc(N2C(N)=c3ccoc3=NC2c2cccc(C(N)=O)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.39
▸ PARP14 Q460N5 2/20 0.38
▸ PARP10 Q53GL7 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KDR P35968 1/20 0.37
▸ TEK Q02763 1/20 0.37
▸ GLA P06280 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPKAPK2 P49137 3/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34
▸ PARP4 Q9UKK3 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34

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
SCHEMBL4833358 0.93 PDE5A (0.38) ALDH1A1CA1CA2KMT2A
SCHEMBL4836536 0.92 L3MBTL1 (0.39) ALDH1A1POLBL3MBTL1CA1CA2
SCHEMBL4833484 0.87 HSD11B1 (0.43) ALDH1A1POLBHSD11B1KMT2A
SCHEMBL4835262 0.87 PDE5A (0.42) PARP14PARP10ALDH1A1L3MBTL1GAA
SCHEMBL4835178 0.86 ACSS2 (0.37) PARP14ALDH1A1KDRTEKPOLB
SCHEMBL4825906 0.86 ALDH1A1 (0.39) ALDH1A1POLBCA1CA2HSD11B1
SCHEMBL4830808 0.85 KMT2A (0.42) ALDH1A1POLBLMNAHTTKMT2A
SCHEMBL4833764 0.84 ABCB1 (0.39) ALDH1A1POLBGAAHTTKMT2A
SCHEMBL4834312 0.84 FYN (0.41) ALDH1A1DRD4
SCHEMBL4828806 0.83 ALDH1A1 (0.50) ALDH1A1POLBGAALMNAKMT2A

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 PARP1 221/4885PARP14 516/4885PARP10 724/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR PARP1 386/4885PARP14 559/4885PARP10 871/4885

“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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