SCHEMBL4836678

SCHEMBL4836678

NC1c2ccoc2N=CN1c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.46
▸ NPY5R Q15761 1/20 0.45
▸ HDAC1 Q13547 3/20 0.43
▸ HDAC8 Q9BY41 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ GSK3B P49841 5/20 0.42
▸ MAPT P10636 2/20 0.41
▸ HDAC3 O15379 2/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC7 Q8WUI4 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC10 Q969S8 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HDAC9 Q9UKV0 2/20 0.40
▸ HDAC5 Q9UQL6 2/20 0.40

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
SCHEMBL4831477 0.88 ALDH1A1 (0.48) NPY5RSMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL4831006 0.88 NPY5R (0.42) NPY5RHDAC1HDAC8DRD3KCNH2
SCHEMBL4834410 0.86 CA1 (0.47) NPY5RSMN1; SMN2FFAR4MAPTALDH1A1
SCHEMBL4836849 0.85 PGR (0.37) SMN1; SMN2FFAR4MAPTALDH1A1
SCHEMBL4833953 0.84 PKM (0.44) NPY5RMAPTALDH1A1
SCHEMBL4830928 0.84 UCHL1 (0.46) TP53SMN1; SMN2FFAR4MAPTALDH1A1
SCHEMBL4834025 0.84 CA1 (0.50) HDAC1HDAC8SMN1; SMN2FFAR4GSK3B
SCHEMBL4835736 0.84 ALPL (0.43) GSK3B
SCHEMBL4834296 0.84 SMN1; SMN2 (0.47) TP53SMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL4833699 0.83 PSEN1 (0.46) NPY5RHDAC1HDAC8MAPTMAPK1

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 TP53 54/4885NPY5R 3227/4885HDAC1 3161/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR TP53 144/4885NPY5R 1385/4885HDAC1 4302/4885

“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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