SCHEMBL4831462

SCHEMBL4831462

NC1=c2ccoc2=NCN1c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.44
▸ CA1 P00915 4/20 0.44
▸ CA2 P00918 4/20 0.44
▸ CA9 Q16790 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPK14 Q16539 2/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ RAF1 P04049 1/20 0.41
▸ MAPK12 P53778 1/20 0.41
▸ MAPK11 Q15759 1/20 0.41
▸ FLT3 P36888 2/20 0.40
▸ CSF1R P07333 2/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL4836200 0.93 CA12 (0.48) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL4827001 0.88 RAB9A (0.47) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL4828887 0.83 MEN1 (0.46) SMN1; SMN2LMNATP53FLT3CSF1R
SCHEMBL4836565 0.82 RAB9A (0.41) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL4831180 0.82 CNR1 (0.39) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL4829027 0.81 GAA (0.46) SMN1; SMN2TP53ALDH1A1KDM4ENPC1
SCHEMBL4833677 0.81 MEN1 (0.47) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL4825819 0.80 POLB (0.43) SMN1; SMN2LMNATP53MAPK14FLT3
SCHEMBL4836002 0.80 MAPT (0.51) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL4833333 0.80 RAB9A (0.49) SMN1; SMN2LMNAEPHX2ALDH1A1NPC1

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 CA12 4081/4885CA1 4775/4885CA2 2721/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR CA12 4813/4885CA1 4873/4885CA2 3685/4885

“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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