Sugi Predict

Sugi Predict / Compounds / SCHEMBL4833580

SCHEMBL4833580

SCHEMBL4833580

NC1c2ccoc2N=CN1c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 1/20 0.43
▸ NFKBIA P25963 2/20 0.42
▸ RELA Q04206 2/20 0.42
▸ SLC40A1 Q9NP59 1/20 0.42
▸ MMP2 P08253 1/20 0.39
▸ PARP14 Q460N5 1/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SGK1 O00141 1/20 0.34
▸ NPY5R Q15761 3/20 0.34
▸ DYRK1A Q13627 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
SCHEMBL4831006 0.84 NPY5R (0.42) MEN1KMT2ALMNAMAPTNPY5R
SCHEMBL4834025 0.79 CA1 (0.50) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4833431 0.77 SGK1 (0.34) SGK1CA12CA1CA2CA9
SCHEMBL4828764 0.77 SGK1 (0.41) MEN1KMT2ALMNAMAPTALOX12
SCHEMBL4825953 0.76 MEN1 (0.49) MEN1KMT2ALMNAMAPTALOX12
SCHEMBL4830780 0.76 ALPL (0.47) LMNAMAPTNPY5R
SCHEMBL4833957 0.76 TRAP1 (0.33) ALDH1A1LMNAL3MBTL1
SCHEMBL4834410 0.76 CA1 (0.47) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4829026 0.75 MAPT (0.48) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4835736 0.75 ALPL (0.43) SLC40A1

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 TYMS 64/4885NFKBIA 1060/4885RELA 3464/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR TYMS 18/4885NFKBIA 1180/4885RELA 2974/4885

“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.

Send feedback