SCHEMBL4836750

SCHEMBL4836750

NC1=c2ccoc2=NCN1c1ccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.48
▸ LMNA P02545 3/20 0.38
▸ HDAC3 O15379 3/20 0.36
▸ NCOR2 Q9Y618 2/20 0.36
▸ KDR P35968 3/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MET P08581 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL4833291 0.92 THRB (0.45) THRBLMNAHDAC3NCOR2KDR
SCHEMBL4831169 0.87 HDAC1 (0.46) THRBLMNAHDAC3NCOR2KMT2A
SCHEMBL4830982 0.87 IDO1 (0.40) THRBLMNAHDAC3NCOR2HDAC1
SCHEMBL4833470 0.84 KMT2A (0.50) LMNAKDRKMT2AHTT
SCHEMBL4831366 0.83 THRB (0.45) THRBLMNAHDAC3NCOR2KDR
SCHEMBL4836195 0.82 HDAC1 (0.46) THRBLMNAHDAC3NCOR2KMT2A
SCHEMBL4833570 0.78 ELOVL1 (0.42) LMNAHDAC3NCOR2KDRHDAC1
SCHEMBL4833594 0.78 PSEN1 (0.46) LMNAKMT2AHTT
SCHEMBL4834239 0.77 KDR (0.41) KDRKMT2A
SCHEMBL4831336 0.77 KDR (0.50) KDRMET

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 1905/4885LMNA 4230/4885HDAC3 3717/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR THRB 1469/4885LMNA 4131/4885HDAC3 4390/4885

“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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