SCHEMBL4834414

SCHEMBL4834414

NC1=c2ccoc2=NCN1c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.55
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ TP53 P04637 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ PKM P14618 4/20 0.48
▸ HDAC1 Q13547 1/20 0.46
▸ PKLR P30613 6/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4835148 0.86 TSHR (0.44) ALDH1A1HTTHDAC1
SCHEMBL4826272 0.84 KMT2A (0.53) GFERMEN1KMT2AALDH1A1GAA
SCHEMBL4830890 0.84 PKLR (0.42) GFERMEN1KMT2ATP53CYP1A2
SCHEMBL4836961 0.83 ALDH1A1 (0.52) MEN1KMT2AALDH1A1GAAHTT
SCHEMBL4833658 0.82 PGR (0.43) MEN1KMT2AALDH1A1CYP3A4PKLR
SCHEMBL4825823 0.82 PGR (0.42) MEN1KMT2AALDH1A1HDAC1TDP1
SCHEMBL4831112 0.80 NPY5R (0.38) —
SCHEMBL4833826 0.80 HTR6 (0.41) MEN1KMT2AALDH1A1TP53CYP1A2
SCHEMBL4834620 0.80 HSD11B1 (0.43) PKLR
SCHEMBL4833946 0.79 KEAP1 (0.46) MEN1KMT2AALDH1A1PKM

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 GFER 2341/4885MEN1 303/4885KMT2A 324/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR GFER 2986/4885MEN1 1454/4885KMT2A 334/4885

“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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