SCHEMBL4833691

SCHEMBL4833691

NC1=c2ccoc2=NCN1c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 6/20 0.44
▸ PSEN2 P49810 6/20 0.44
▸ APH1B Q8WW43 6/20 0.44
▸ NCSTN Q92542 6/20 0.44
▸ APH1A Q96BI3 6/20 0.44
▸ PSENEN Q9NZ42 6/20 0.44
▸ CYP2D6 P10635 4/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ NPY5R Q15761 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ NR3C1 P04150 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ AR P10275 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ TRPC3 Q13507 1/20 0.35
▸ SERPINE1 P05121 2/20 0.35
▸ THRB P10828 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34

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
SCHEMBL4831000 0.91 NPY5R (0.45) CYP3A4NPY5RMAPTNR3C1AR
SCHEMBL4834122 0.88 PFKFB4 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4834472 0.85 CYP3A4 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4834402 0.84 ALDH1A1 (0.49) CYP3A4NPY5RMAPTLMNA
SCHEMBL4833946 0.83 KEAP1 (0.46) NPY5RMAPTPGRLMNA
SCHEMBL4834019 0.83 ALDH1A1 (0.51) CYP3A4MAPTLMNAHDAC1HDAC8
SCHEMBL4836674 0.83 NPY5R (0.47) NPY5RMAPTLMNAHDAC1HDAC8
SCHEMBL4829045 0.82 KMT2A (0.41) NPY5RMAPTPGRLMNA
SCHEMBL4829091 0.82 KMT2A (0.44) NPY5RMAPTPGRLMNAHDAC1
SCHEMBL4833569 0.81 TYMS (0.44) NPY5RMAPTLMNA

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 PSEN1 2600/4885PSEN2 1266/4885APH1B 3144/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR PSEN1 2399/4885PSEN2 942/4885APH1B 2132/4885

“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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