SCHEMBL4712695

SCHEMBL4712695

CCOC(=O)c1cnc(SC)nc1NCc1ccc(OC)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.65
▸ MAPT P10636 6/20 0.59
▸ LMNA P02545 3/20 0.59
▸ SYK P43405 2/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ GAA P10253 1/20 0.54
▸ HTT P42858 3/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ POLB P06746 3/20 0.52
▸ FOS P01100 1/20 0.52
▸ JUN P05412 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ TDP1 Q9NUW8 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ ADORA2B P29275 1/20 0.49

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
SCHEMBL445955 0.88 ALDH1A1 (0.65) ALDH1A1MAPTLMNASYKSMN1; SMN2
SCHEMBL16824948 0.87 KDM4E (0.54) ALDH1A1HTTPOLBKDM4EADORA3
SCHEMBL16137867 0.86 ALDH1A1 (0.60) ALDH1A1MAPTLMNASYKSMN1; SMN2
SCHEMBL17013516 0.85 ALDH1A1 (0.62) ALDH1A1MAPTLMNASYKSMN1; SMN2
SCHEMBL30879308 0.85 MAPT (0.80) ALDH1A1MAPTLMNASYKSMN1; SMN2
SCHEMBL18168179 0.85 MAPT (0.56) ALDH1A1MAPTLMNASYKSMN1; SMN2
SCHEMBL31694381 0.84 PDE5A (0.59) ALDH1A1MAPTSYKHTTMAPK1
SCHEMBL1679801 0.84 PDE5A (0.59) ALDH1A1MAPTSYKHTTMAPK1
SCHEMBL16815900 0.84 ALDH1A1 (0.58) ALDH1A1MAPTLMNASYKSMN1; SMN2
SCHEMBL28890958 0.84 ALDH1A1 (0.58) ALDH1A1MAPTLMNASYKSMN1; SMN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111297868-A Use of a composition comprising a heterocyclic compound for the manufacture of a medicament for the treatment of phosphodiesterase mediated diseases 黄泳华 2020-06-19 — — CN claimed
CN-111297868-A Use of a composition comprising a heterocyclic compound for the manufacture of a medicament for the treatment of phosphodiesterase mediated diseases 黄泳华 2020-06-19 — — CN disclosed
EP-0964864-B1 PYRIDO 2,3-D PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2008-04-09 — — EP disclosed
EP-1806348-A2 Pyrido (2,3-D)Pyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-07-11 — — EP disclosed
US-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease BOOTH RICHARD JOHN (US) 2004-11-11 — — US disclosed
US-6498163-B1 POTENT INHIBITORS OF CYCLIN-DEPENDENT KINASES AND GROWTH FACTOR MEDIATED KINASES; CANCER, RESTENOSIS, ATHEROSCLEROSIS WARNER-LAMBERT COMPANY 2002-12-24 — — US disclosed
EP-1255755-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2002-11-13 — — EP disclosed
WO-2001055148-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2001-08-02 — — WO disclosed
EP-0964864-A2 PYRIDO 2,3-D] PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-22 — — EP disclosed
WO-1998033798-A2 PYRIDO[2,3-D]PYRIMIDINES AND 4-AMINO-PYRIMIDINES AS INHIBITORS OF CELL PROLIFERATION WARNER LAMBERT COMPANY (US) 1998-08-06 — — 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 (1 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-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease CDK4, CDKL1, CCNT1 ALDH1A1 1162/4885MAPT 2259/4885LMNA 4646/4885

“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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