SCHEMBL6855889

SCHEMBL6855889

CCOC(=O)c1nc(-c2ccc3ccccc3c2)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CDC25A P30304 1/20 0.55
CDC25B P30305 1/20 0.55
CDC25C P30307 1/20 0.55
DUSP3 P51452 1/20 0.55
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
MAPT P10636 3/20 0.50
AR P10275 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NFKB1 P19838 1/20 0.50
GFER P55789 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48
MAOA P21397 5/20 0.48

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
SCHEMBL6859277 0.85 MEN1 (0.58) MEN1KMT2ACDC25ACDC25BCDC25C
SCHEMBL694852 0.85 ALDH1A1 (0.56) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL14564366 0.85 ALDH1A1 (0.48) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL12876854 0.83 ATP4A (0.49) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL30194268 0.82 ALDH1A1 (0.57) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL2705788 0.82 KDM4E (0.56) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL18425631 0.82 RAB9A (0.57) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL28928759 0.81 ESR1 (0.49) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL6438482 0.81 NR1H4 (0.54) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL12942140 0.81 L3MBTL1 (0.61) MEN1KMT2ARAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831075-B2 Administering to a host for inhibiting kinase activity a 5-heterocylcic subustituted pyrazolone derivative CEPHALON, INC. 2004-12-14 US disclosed
US-20030162775-A1 Heterocyclic substituted pyrazolones CEPHALON, INC. 2003-08-28 US disclosed
US-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-20 US disclosed
US-6455525-B1 Heterocyclic substituted pyrazolones CEPHALON, INC. 2002-09-24 US disclosed
EP-1226141-A1 HETEROCYCLIC SUBSTITUTED PYRAZOLONES CEPHALON, INC. (US) 2002-07-31 EP disclosed
WO-2001032653-A1 HETEROCYCLIC SUBSTITUTED PYRAZOLONES CEPHALON, INC. (US) 2001-05-10 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-20030162775-A1 Heterocyclic substituted pyrazolones CYP3A4, CYP3A5, PDXK MEN1 1083/4885KMT2A 4500/4885CDC25A 3519/4885
US-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production TERT, POT1, REV1 MEN1 386/4885KMT2A 2592/4885CDC25A 382/4885

“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.