SCHEMBL4831395

SCHEMBL4831395

Cn1cnc(S(=O)(=O)Nc2ccc(N3CN=c4occc4=C3N)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HTR6 P50406 1/20 0.40
▸ GAA P10253 3/20 0.39
▸ GLO1 Q04760 1/20 0.36
▸ MET P08581 1/20 0.36
▸ FBP1 P09467 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ITK Q08881 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ SYK P43405 1/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ SSTR5 P35346 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32

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
SCHEMBL4829044 0.85 LMNA (0.45) TSHRL3MBTL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL4833946 0.79 KEAP1 (0.46) ALDH1A1HTR6LMNAKMT2A
SCHEMBL4834223 0.79 CA1 (0.42) ALDH1A1GAAKMT2A
SCHEMBL4834661 0.78 LMNA (0.44) TSHRALDH1A1MAPK1SMN1; SMN2GAA
SCHEMBL4830836 0.78 MAPT (0.51) TSHRALDH1A1MAPK1SMN1; SMN2GAA
SCHEMBL4834402 0.78 ALDH1A1 (0.49) ALDH1A1MAPK1SMN1; SMN2LMNAKMT2A
SCHEMBL4833803 0.77 POLB (0.47) ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL4830936 0.77 ALDH1A1 (0.49) TSHRL3MBTL1ALDH1A1LMNAKMT2A
SCHEMBL4834019 0.77 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HTR6LMNAKMT2A
SCHEMBL4831475 0.77 KMT2A (0.52) ALDH1A1MAPK1SMN1; SMN2GAALMNA

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 5 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

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 TSHR 3073/4885L3MBTL1 3368/4885ALDH1A1 906/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR TSHR 3243/4885L3MBTL1 3908/4885ALDH1A1 1144/4885

“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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