SCHEMBL4833641

SCHEMBL4833641

COc1ccc(C2N=c3occc3=C(N)N2c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ HSD11B1 P28845 4/20 0.36
▸ TP53 P04637 1/20 0.35
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MDM4 O15151 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CASP3 P42574 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
SCHEMBL4833680 0.96 ALDH1A1 (0.46) ALDH1A1HSD11B1TP53PTGS1PTGS2
SCHEMBL4829331 0.92 ALDH1A1 (0.43) ALDH1A1HSD11B1TP53MEN1KMT2A
SCHEMBL4831211 0.92 ALDH1A1 (0.43) ALDH1A1HSD11B1TP53PTGS1PTGS2
SCHEMBL4836547 0.92 ALDH1A1 (0.43) ALDH1A1HSD11B1TP53PTGS1PTGS2
SCHEMBL4826532 0.92 ALDH1A1 (0.43) ALDH1A1HSD11B1TP53PTGS1PTGS2
SCHEMBL4835851 0.92 ALDH1A1 (0.43) ALDH1A1HSD11B1TP53PTGS1PTGS2
SCHEMBL4829270 0.92 ALDH1A1 (0.43) ALDH1A1HSD11B1SMN1; SMN2MEN1KMT2A
SCHEMBL4836553 0.91 ALDH1A1 (0.43) ALDH1A1HSD11B1TP53GAAKDM4E
SCHEMBL4833743 0.91 ALDH1A1 (0.43) ALDH1A1HSD11B1TP53GAAKDM4E
SCHEMBL4829029 0.91 ALDH1A1 (0.43) ALDH1A1TP53GAASMN1; SMN2KMT2A

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 ALDH1A1 906/4885HSD11B1 3465/4885TP53 54/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ALDH1A1 1144/4885HSD11B1 4215/4885TP53 144/4885

“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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