SCHEMBL4834472

SCHEMBL4834472

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 9/20 0.47
▸ CYP2D6 P10635 7/20 0.47
▸ PSEN1 P49768 6/20 0.47
▸ PSEN2 P49810 6/20 0.47
▸ APH1B Q8WW43 6/20 0.47
▸ NCSTN Q92542 6/20 0.47
▸ APH1A Q96BI3 6/20 0.47
▸ PSENEN Q9NZ42 6/20 0.47
▸ ACLY P53396 2/20 0.42
▸ PGR P06401 1/20 0.40
▸ HTR6 P50406 2/20 0.37
▸ KDM1A O60341 1/20 0.35

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
SCHEMBL4834398 0.91 MAPT (0.47) PGR
SCHEMBL4834507 0.89 PGR (0.43) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL4829022 0.88 MAPT (0.49) CYP3A4CYP2D6PGR
SCHEMBL4836618 0.87 MEN1 (0.42) HTR6
SCHEMBL4833946 0.86 KEAP1 (0.46) PGRHTR6
SCHEMBL4825947 0.85 MAPT (0.50) CYP3A4
SCHEMBL4827030 0.85 ALDH1A1 (0.47) —
SCHEMBL4833691 0.85 PSEN1 (0.44) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL4829045 0.85 KMT2A (0.41) PGRHTR6
SCHEMBL4830862 0.85 PGR (0.44) CYP3A4CYP2D6PSEN1PSEN2APH1B

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 CYP3A4 2352/4885CYP2D6 2559/4885PSEN1 2600/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR CYP3A4 1914/4885CYP2D6 1693/4885PSEN1 2399/4885

“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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