SCHEMBL4830972

SCHEMBL4830972

Nc1ccc(N2CN=c3occc3=C2Nc2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ ALOX12 P18054 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GAA P10253 2/20 0.32
▸ PLK4 O00444 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ KDM1A O60341 1/20 0.31
▸ MET P08581 1/20 0.30
▸ BCL6 P41182 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4828976 0.84 L3MBTL1 (0.44) ALDH1A1MAPTALOX12HTTL3MBTL1
SCHEMBL4834399 0.82 ALDH1A1 (0.32) ALDH1A1MAPTCYP2C9ALOX12CYP2C19
SCHEMBL4830795 0.72 KDR (0.46) —
SCHEMBL4833554 0.67 ALDH1A1 (0.52) ALDH1A1HTTGAALMNAALOX15
SCHEMBL4825819 0.67 POLB (0.43) ALDH1A1MAPTCYP2C19HTTCYP1A2
Diphenylamine SCHEMBL4908856 0.61 MAPT (0.94) ALDH1A1MAPTCYP2C9ALOX12CYP2C19
SCHEMBL15371 0.60 ALDH1A1 (1.00) ALDH1A1MAPTCYP2C9ALOX12CYP2C19
SCHEMBL6405773 0.60 ALDH1A1 (1.00) ALDH1A1MAPTCYP2C9ALOX12CYP2C19
SCHEMBL22282997 0.60 ALDH1A1 (1.00) ALDH1A1MAPTCYP2C9ALOX12CYP2C19
SCHEMBL13644737 0.60 ALDH1A1 (1.00) ALDH1A1MAPTCYP2C9ALOX12CYP2C19

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 906/4885MAPT 2499/4885CYP2C9 2843/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ALDH1A1 1144/4885MAPT 2424/4885CYP2C9 2123/4885

“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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