SCHEMBL2441653

SCHEMBL2441653

N#Cc1c(O)nsc1Nc1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.54
HTT P42858 3/20 0.39
RECQL P46063 1/20 0.39
SRC P12931 8/20 0.38
MAPK1 P28482 3/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 1/20 0.35
CA14 Q9ULX7 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL21917263 0.89 MAP2K1 (0.54) MAP2K1HTTRECQLSRCMAPK1
SCHEMBL1230231 0.83 KDM4E (0.52) MAP2K1HTTRECQLSRCMAPK1
SCHEMBL1228956 0.80 MAPT (0.50) MAP2K1HTTRECQLMAPK1KDM4E
SCHEMBL2436615 0.79 MAP2K1 (0.51) MAP2K1HTTRECQLSRCMAPK1
SCHEMBL5940979 0.78 KDM4E (0.41) MAP2K1HTTRECQLSRCMAPK1
SCHEMBL2434751 0.78 HTT (0.48) MAP2K1HTTRECQLKDM4EMAPT
SCHEMBL21917354 0.77 HTT (0.43) MAP2K1HTTRECQLSRCMAPK1
SCHEMBL21917259 0.76 HTT (0.41) HTTRECQLSRCMAPK1KDM4E
SCHEMBL13547339 0.76 SMN1; SMN2 (0.37) MAP2K1HTTSRCMAPK1KDM4E
SCHEMBL2436480 0.75 MAPT (0.45) MAP2K1HTTRECQLMAPK1KDM4E

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 9 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
US-20220072019-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR DISARM THERAPEUTICS, INC. 2022-03-10 US disclosed
US-20220008405-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS DISARM THERAPEUTICS, INC. 2022-01-13 US disclosed
WO-2020132045-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEUROPROTECTIVE AGENTS DISARM THERAPEUTICS, INC. (US) 2020-06-25 WO disclosed
WO-2020081923-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR DISARM THERAPEUTICS, INC. (US) 2020-04-23 WO disclosed
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 (3 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-20220072019-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR SARM1, NNMT, NQO1 MAP2K1 2368/4885HTT 155/4885RECQL 1696/4885
US-20040039037-A1 Heterocyclic compounds and uses thereof MAP3K1, MAP3K20, MAP4K2 MAP2K1 59/4885HTT 2684/4885RECQL 3054/4885
US-20220008405-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS SARM1, SMN1; SMN2, SARNP MAP2K1 2803/4885HTT 53/4885RECQL 2458/4885

“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.