SCHEMBL4836756

SCHEMBL4836756

NC1c2ccoc2N=CN1c1ccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ IDH2 P48735 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ KDR P35968 2/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ KDM1A O60341 2/20 0.33
▸ ELOVL1 Q9BW60 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PTPN1 P18031 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
SCHEMBL4833301 0.93 THRB (0.41) THRBLMNATP53KDRHDAC1
SCHEMBL4830987 0.87 IDO1 (0.37) THRBLMNAHDAC1GAA
SCHEMBL4831174 0.87 GAA (0.43) THRBSMN1; SMN2LMNAHDAC3HDAC1
SCHEMBL4833483 0.84 KMT2A (0.48) SMN1; SMN2LMNAEPHX2KDRAURKA
SCHEMBL4831371 0.84 THRB (0.44) THRBSMN1; SMN2LMNAIDH2TP53
SCHEMBL4836201 0.83 HDAC1 (0.44) SMN1; SMN2LMNAHDAC3HDAC1HDAC2
SCHEMBL4833590 0.79 ELOVL1 (0.43) HDAC3ELOVL1
SCHEMBL4833602 0.78 PSEN1 (0.48) SMN1; SMN2LMNAKMT2A
SCHEMBL4834246 0.77 CA12 (0.41) EPHX2KDRKMT2A
SCHEMBL4831342 0.76 CA12 (0.52) KDRSYKAURKAAURKB

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 THRB 1905/4885SMN1; SMN2 4268/4885LMNA 4230/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR THRB 1469/4885SMN1; SMN2 3836/4885LMNA 4131/4885

“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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