SCHEMBL4836861

SCHEMBL4836861

NC1c2ccoc2N=CN1c1ccc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ PPARG P37231 1/20 0.34
▸ HSD17B1 P14061 2/20 0.32
▸ HSD17B2 P37059 2/20 0.32
▸ GPR27 Q9NS67 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ GFER P55789 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ SGK1 O00141 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL4833747 0.85 HTR6 (0.39) KMT2AMEN1CA1CA2
SCHEMBL4828764 0.81 SGK1 (0.41) KMT2AMEN1PPARGCA1CA2
SCHEMBL4833307 0.81 PKM (0.38) PKMALDH1A1GAAMAPTHTT
SCHEMBL4834229 0.81 CA1 (0.44) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL4834410 0.81 CA1 (0.47) KMT2AMEN1CA1CA2PKM
SCHEMBL4834365 0.80 LMNA (0.37) KMT2AMEN1CA1CA2MAPT
SCHEMBL4836622 0.80 MEN1 (0.42) KMT2AMEN1GPR27CA1CA2
SCHEMBL4831181 0.79 ALPL (0.45) KMT2APKMGAAMAPT
SCHEMBL4834114 0.79 ALDH1A1 (0.46) KMT2AMEN1PKMALDH1A1GAA
SCHEMBL4827037 0.79 MAPT (0.43) KMT2AMEN1ALDH1A1GAAMAPT

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 7 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
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 KMT2A 324/4885MEN1 303/4885HSD11B1 3465/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR KMT2A 334/4885MEN1 1454/4885HSD11B1 4215/4885

“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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