SCHEMBL10156459

SCHEMBL10156459

CCN(CC)C(=O)c1cc(Nc2nc(SC)nc(C)c2C(N)=O)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PDE4B Q07343 2/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
SYK P43405 2/20 0.36
GFER P55789 1/20 0.35
PPARG P37231 1/20 0.35
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL16305335 0.90 MEN1 (0.38) MAPK1HTTMEN1KMT2AMAPT
SCHEMBL10156666 0.82 PARP1 (0.37) MEN1KMT2APDE4BSYKGFER
SCHEMBL10157650 0.78 MEN1 (0.39) MAPK1HTTMEN1KMT2AMAPT
SCHEMBL10156526 0.76 HPGD (0.42) MAPK1HTTMEN1KMT2AMAPT
SCHEMBL10126559 0.76 CA1 (0.40) MAPK1HTTMEN1KMT2AMAPT
SCHEMBL1940268 0.75 LMNA (0.46) MAPK1HTTMEN1KMT2AMAPT
SCHEMBL1949965 0.74 LMNA (0.49) LMNAKDM4ERAB9ASYKPPARG
SCHEMBL10157057 0.74 SCN9A (0.43) MEN1KMT2APPARG
SCHEMBL16541457 0.73 MEN1 (0.39) MAPK1HTTMEN1KMT2AMAPT
SCHEMBL10156798 0.71 SYK (0.60) SYKJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 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-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 MAPK1 1174/4885HTT 3739/4885MEN1 724/4885

“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.