SCHEMBL4836195

SCHEMBL4836195

NC1=c2ccoc2=NCN1c1ccc(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.46
▸ LMNA P02545 2/20 0.41
▸ IDO1 P14902 3/20 0.34
▸ DGAT1 O75907 2/20 0.34
▸ AKT1 P31749 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ HDAC3 O15379 2/20 0.33
▸ NCOR2 Q9Y618 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33

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
SCHEMBL4830982 0.88 IDO1 (0.40) HDAC1LMNAIDO1MAPTHDAC3
SCHEMBL4831169 0.87 HDAC1 (0.46) HDAC1LMNAMEN1KMT2AMAPT
SCHEMBL4833291 0.85 THRB (0.45) HDAC1LMNAIDO1MAPTHDAC3
SCHEMBL4836291 0.82 HDAC1 (0.43) HDAC1LMNAIDO1DGAT1AKT1
SCHEMBL4833570 0.79 ELOVL1 (0.42) HDAC1LMNAIDO1HDAC3NCOR2
SCHEMBL4825819 0.76 POLB (0.43) LMNAMEN1KMT2AMAPTHTT
SCHEMBL4829022 0.74 MAPT (0.49) HDAC1LMNAMEN1KMT2AMAPT
SCHEMBL4833677 0.74 MEN1 (0.47) LMNAMEN1KMT2AMAPTHTT
SCHEMBL4828887 0.74 MEN1 (0.46) LMNAMEN1KMT2AMAPTHTT
SCHEMBL4833970 0.73 CA12 (0.52) LMNAMEN1KMT2AMAPTHTT

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 HDAC1 3161/4885LMNA 4230/4885IDO1 1437/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR HDAC1 4302/4885LMNA 4131/4885IDO1 480/4885

“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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