SCHEMBL4825771

SCHEMBL4825771

CCCCN(C(N)=O)c1ccc(N2C(N)=c3ccoc3=NC2c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ EDNRB P24530 1/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ OPRM1 P35372 3/20 0.32
▸ POLB P06746 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ GAA P10253 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
SCHEMBL4833165 0.83 ALDH1A1 (0.38) ALDH1A1L3MBTL1POLBGAA
SCHEMBL4831175 0.82 ALDH1A1 (0.41) ALDH1A1L3MBTL1CYP2C19POLBATM
SCHEMBL4834339 0.82 ALDH1A1 (0.37) ALDH1A1CYP2D6POLBNPSR1
SCHEMBL4833641 0.82 ALDH1A1 (0.49) ALDH1A1L3MBTL1SMN1; SMN2GAA
SCHEMBL4833955 0.81 ALDH1A1 (0.41) ALDH1A1L3MBTL1CYP2C19CYP2D6CYP2C9
SCHEMBL4836547 0.81 ALDH1A1 (0.43) ALDH1A1L3MBTL1CYP2C19CYP2C9SMN1; SMN2
SCHEMBL4826532 0.81 ALDH1A1 (0.43) ALDH1A1L3MBTL1CYP2C19CYP2C9SMN1; SMN2
SCHEMBL4836558 0.80 ALDH1A1 (0.43) ALDH1A1ATM
SCHEMBL4833422 0.80 TRPM8 (0.36) ALDH1A1CYP2C19CYP2D6CYP2C9SMN1; SMN2
SCHEMBL4833908 0.79 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2GAA

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 7 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

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 ALOX15 975/4885ALDH1A1 906/4885L3MBTL1 3368/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ALOX15 1289/4885ALDH1A1 1144/4885L3MBTL1 3908/4885

“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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