SCHEMBL4831333

SCHEMBL4831333

COc1ccc(N2C(N)=c3ccoc3=NC2C(=O)Nc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 3/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ACSS2 Q9NR19 1/20 0.38
▸ ACHE P22303 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ MAPK13 O15264 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ MAPK11 Q15759 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37

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
SCHEMBL4836739 0.95 POLB (0.40) ALDH1A1SMN1; SMN2HTTPOLBMAPT
SCHEMBL4825859 0.90 MAPT (0.44) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL4834037 0.90 KMT2A (0.39) CYP2C19CYP2C9ALDH1A1SMN1; SMN2GAA
SCHEMBL4833975 0.90 KDM4E (0.46) CYP2C19CYP2C9ALDH1A1POLBKMT2A
SCHEMBL4833804 0.89 POLB (0.42) CYP2C19CYP2C9ALDH1A1SMN1; SMN2POLB
SCHEMBL4833553 0.88 MAPT (0.40) ALDH1A1SMN1; SMN2GAAHTTPOLB
SCHEMBL4835115 0.87 HCRTR1 (0.45) CYP2C19CYP2C9ALDH1A1SMN1; SMN2GAA
SCHEMBL4826594 0.86 KMT2A (0.44) CYP2C19CYP2C9ALDH1A1SMN1; SMN2GAA
SCHEMBL4835760 0.85 L3MBTL1 (0.38) CYP2C19CYP2C9ALDH1A1SMN1; SMN2GAA
SCHEMBL4829293 0.84 RAB9A (0.43) ALDH1A1SMN1; SMN2GAAPOLBMAPT

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 CYP2C19 1860/4885CYP2C9 2843/4885ALDH1A1 906/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR CYP2C19 1132/4885CYP2C9 2123/4885ALDH1A1 1144/4885

“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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