SCHEMBL4833732

SCHEMBL4833732

COc1ccc(N2C(C(=O)N(CC(=O)O)c3ccccc3)=Nc3occc3C2N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ PTGIR P43119 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL4829400 0.94 ACHE (0.34) BACE1ALDH1A1KMT2ATSHRMEN1
SCHEMBL4834267 0.93 POLB (0.34) BACE1ALDH1A1KMT2ATSHRMEN1
SCHEMBL4828791 0.88 POLB (0.39) BACE1ALDH1A1KMT2ATSHRMEN1
SCHEMBL4826332 0.87 MTNR1A (0.37) BACE1ALDH1A1ACHEPOLBKDM4E
SCHEMBL4835767 0.81 MAPT (0.36) ALDH1A1KMT2AMEN1P2RX3F2
SCHEMBL4831362 0.80 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1F2POLB
SCHEMBL4831338 0.79 RAB9A (0.41) ALDH1A1KMT2AMEN1KDM4ENPSR1
SCHEMBL4825722 0.77 S1PR1 (0.44) BACE1KMT2AMEN1P2RX3KDM4E
SCHEMBL4829297 0.77 GAA (0.43) ALDH1A1KMT2AMEN1POLBKDM4E
SCHEMBL4833155 0.76 L3MBTL1 (0.34) ALDH1A1KMT2AMEN1P2RX3F2

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 BACE1 4462/4885ALDH1A1 906/4885KMT2A 324/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR BACE1 4174/4885ALDH1A1 1144/4885KMT2A 334/4885

“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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