SCHEMBL13628009

SCHEMBL13628009

Cc1cc(C)c2c(c1)/C(=N/O)C(=O)N2Cc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
LMNA P02545 1/20 0.41
CYP1B1 Q16678 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SCN9A Q15858 1/20 0.37
CHRM1 P11229 1/20 0.37
BRD4 O60885 2/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
ADRA1D P25100 1/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL13628003 0.89 MEN1 (0.46) KMT2AMEN1ALDH1A1PKMLMNA
SCHEMBL13910738 0.78 SMN1; SMN2 (0.45) KMT2AMEN1ALDH1A1PKMLMNA
SCHEMBL13627987 0.76 GRIN1 (0.38) KMT2AMEN1ALDH1A1MAPTTP53
SCHEMBL13627989 0.74 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL13627985 0.74 CHRM5 (0.48) KMT2AMEN1ALDH1A1MAPTTP53
SCHEMBL13627968 0.74 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1PKMLMNA
SCHEMBL13627993 0.73 CMA1 (0.51) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL13627991 0.73 TP53 (0.46) MAPTTP53
SCHEMBL13627995 0.72 LMNA (0.42) ALDH1A1LMNASCN9AMAPTTP53
SCHEMBL13637765 0.72 MAPT (0.37) KMT2AMEN1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 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-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) MAP3K1, JUN, MAP3K7 KMT2A 3594/4885MEN1 4320/4885ALDH1A1 4310/4885

“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.