SCHEMBL2471373

SCHEMBL2471373

COc1cc(-c2ccccc2)ccc1Nc1snc(O)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.44
KDM4E B2RXH2 2/20 0.44
APAF1 O14727 1/20 0.44
CASP6 P55212 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
MCL1 Q07820 1/20 0.44
CASP8 Q14790 1/20 0.44
HTT P42858 1/20 0.43
ADORA2A P29274 5/20 0.41
ADORA1 P30542 5/20 0.41
ACLY P53396 5/20 0.39
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
MAP2K1 Q02750 1/20 0.37
PGR P06401 1/20 0.37
AR P10275 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2437903 0.85 HTT (0.44) RECQLKDM4EHTTTP53ALDH1A1
SCHEMBL5941108 0.76 KMT2A (0.48) KDM4EHTTALDH1A1LMNAMAPT
SCHEMBL21917353 0.73 HTT (0.50) RECQLKDM4ECACNA1BAPBA1HTT
SCHEMBL3527060 0.72 HTT (0.68) RECQLHTTADORA2AADORA1MAP2K1
SCHEMBL21917261 0.72 EPHX2 (0.40) RECQLCACNA1BAPBA1HTTALDH1A1
SCHEMBL21917576 0.71 HTT (0.45) RECQLKDM4ECACNA1BAPBA1HTT
SCHEMBL2437350 0.71 KDM4E (0.52) RECQLKDM4EHTTADORA2AADORA1
SCHEMBL2469097 0.71 HTT (0.43) RECQLKDM4ECACNA1BAPBA1HTT
SCHEMBL1230231 0.71 KDM4E (0.52) RECQLKDM4ECACNA1BAPBA1HTT
SCHEMBL5941099 0.70 HTT (0.64) RECQLHTTADORA2AADORA1MAP2K1

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-6989451-B2 Substituted isothiazole compounds are useful for treating the diseases associated with abnormality in protein kinases(especially MAP kinases) VALEANT RESEARCH & DEVELOPMENT (US) 2006-01-24 US claimed
EP-2362909-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2011-09-07 EP disclosed
WO-2010039778-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2010-04-08 WO disclosed
US-6989451-B2 Substituted isothiazole compounds are useful for treating the diseases associated with abnormality in protein kinases(especially MAP kinases) VALEANT RESEARCH & DEVELOPMENT (US) 2006-01-24 US disclosed
US-20040039037-A1 Heterocyclic compounds and uses thereof VALEANT PHARMA POLAND SPOLKA Z ORGANICZONA ODPOWIEDZIALNOSCIA (PL) 2004-02-26 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 (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-20040039037-A1 Heterocyclic compounds and uses thereof MAP3K1, MAP3K20, MAP4K2 RECQL 3054/4885KDM4E 2204/4885APAF1 2709/4885

“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.