SCHEMBL4828976

SCHEMBL4828976

O=[N+]([O-])c1ccc(N2CN=c3occc3=C2Nc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ CXCR2 P25025 1/20 0.40
▸ MAPT P10636 11/20 0.39
▸ MEN1 O00255 10/20 0.39
▸ KMT2A Q03164 10/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ GFER P55789 1/20 0.38
▸ MAPK1 P28482 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ POLB P06746 3/20 0.36

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
SCHEMBL4833852 0.78 POLB (0.39) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9479463 0.65 ALOX12 (1.00) L3MBTL1HPGDALOX12CXCR2MAPT
SCHEMBL224794 0.65 ALOX12 (1.00) L3MBTL1HPGDALOX12CXCR2MAPT
Hydrochloric Acid SCHEMBL3693418 0.63 ALOX12 (0.96) L3MBTL1HPGDALOX12CXCR2MAPT
SCHEMBL9717470 0.63 ALOX12 (0.96) L3MBTL1HPGDALOX12CXCR2MAPT
Diphenylamine SCHEMBL6373876 0.62 ALOX12 (0.79) L3MBTL1HPGDALOX12CXCR2MAPT
SCHEMBL14819032 0.61 ALOX12 (0.89) L3MBTL1HPGDALOX12CXCR2MAPT
SCHEMBL3898912 0.58 ALOX12 (0.77) L3MBTL1HPGDALOX12CXCR2MAPT
SCHEMBL11341841 0.58 HPGD (0.81) L3MBTL1HPGDALOX12CXCR2MAPT
SCHEMBL12952781 0.58 SIRT6 (0.71) L3MBTL1MAPTMEN1KMT2AALDH1A1

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 L3MBTL1 3368/4885HPGD 736/4885ALOX12 730/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR L3MBTL1 3908/4885HPGD 1054/4885ALOX12 1148/4885

“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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