SCHEMBL4833542

SCHEMBL4833542

COc1ccc(N2C(N)=c3ccoc3=NC2c2ccc(OC)cc2OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ POLB P06746 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ CA2 P00918 6/20 0.36
▸ CA1 P00915 4/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ CYP3A4 P08684 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ACHE P22303 2/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ MDM4 O15151 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL4833458 0.89 HSD11B1 (0.44) ALDH1A1GAAPTGS1PTGS2MAPT
SCHEMBL4833641 0.86 ALDH1A1 (0.49) ALDH1A1GAAPTGS1PTGS2MAPT
SCHEMBL4833484 0.85 HSD11B1 (0.43) ALDH1A1POLBPTGS1PTGS2MAPT
SCHEMBL4834275 0.83 ALDH1A1 (0.40) ALDH1A1PTGS1PTGS2MAPTTP53
SCHEMBL4833680 0.83 ALDH1A1 (0.46) ALDH1A1GAAPTGS1PTGS2MAPT
SCHEMBL4834360 0.83 RAB9A (0.38) ALDH1A1PTGS1PTGS2MAPTP2RX3
SCHEMBL4830970 0.83 ALDH1A1 (0.42) ALDH1A1CA2CA1CA4CA7
SCHEMBL4825775 0.82 HSD11B1 (0.46) ALDH1A1GAAPTGS1PTGS2MAPT
SCHEMBL4825906 0.82 ALDH1A1 (0.39) ALDH1A1POLBCA2CA1PTGS1
SCHEMBL4835851 0.82 ALDH1A1 (0.43) ALDH1A1POLBGAAPTGS1PTGS2

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 906/4885POLB 928/4885GAA 3329/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ALDH1A1 1144/4885POLB 1327/4885GAA 4356/4885

“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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