SCHEMBL4831477

SCHEMBL4831477

COc1ccc(S(=O)(=O)Nc2ccc(N3C=Nc4occc4C3N)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.48
▸ MAPT P10636 3/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ LMNA P02545 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ PGR P06401 1/20 0.43
▸ NPY5R Q15761 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL4829053 0.91 KMT2A (0.39) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL4833997 0.89 PGR (0.47) ALDH1A1PKMLMNAGAAMAPK1
SCHEMBL4834296 0.88 SMN1; SMN2 (0.47) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL4836678 0.88 TP53 (0.46) ALDH1A1MAPTMAPK1NPY5RSMN1; SMN2
SCHEMBL4836849 0.88 PGR (0.37) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL4834410 0.87 CA1 (0.47) ALDH1A1MAPTKMT2AMEN1PKM
SCHEMBL4833953 0.87 PKM (0.44) ALDH1A1MAPTKMT2AMEN1PKM
SCHEMBL4834025 0.86 CA1 (0.50) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL4830928 0.86 UCHL1 (0.46) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL4833811 0.86 POLB (0.47) ALDH1A1MAPTKMT2AMEN1PKM

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 ALDH1A1 906/4885MAPT 2499/4885KMT2A 324/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ALDH1A1 1144/4885MAPT 2424/4885KMT2A 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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