SCHEMBL4830982

SCHEMBL4830982

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 8/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HDAC3 O15379 2/20 0.36
▸ NCOR2 Q9Y618 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ EP300 Q09472 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ CFTR P13569 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL4831169 0.90 HDAC1 (0.46) LMNAHDAC3NCOR2THRBHDAC1
SCHEMBL4836195 0.88 HDAC1 (0.46) IDO1LMNAHDAC3NCOR2THRB
SCHEMBL4836750 0.87 THRB (0.48) LMNAHDAC3NCOR2THRBHDAC1
SCHEMBL4833677 0.83 MEN1 (0.47) LMNANPSR1MAPT
SCHEMBL4826352 0.82 IDO1 (0.38) IDO1LMNAHDAC3NCOR2THRB
SCHEMBL4833291 0.82 THRB (0.45) IDO1LMNAHDAC3NCOR2THRB
SCHEMBL4833570 0.80 ELOVL1 (0.42) IDO1LMNAHDAC3NCOR2HDAC1
SCHEMBL4828787 0.76 CNR1 (0.51) MAPT
SCHEMBL4825819 0.75 POLB (0.43) LMNAMAPTGAA
SCHEMBL4834398 0.75 MAPT (0.47) LMNAHDAC3HDAC1MAPT

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 IDO1 1437/4885LMNA 4230/4885HDAC3 3717/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR IDO1 480/4885LMNA 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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