SCHEMBL13628342

SCHEMBL13628342

CNC(=O)n1c(=O)n(Cc2ccccc2)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
GAA P10253 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.49
ASAH1 Q13510 1/20 0.48
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL13628341 0.80 MEN1 (0.55) MEN1KMT2AGAAL3MBTL1LMNA
SCHEMBL3919062 0.78 CNR2 (0.74) MEN1KMT2AGAAL3MBTL1
SCHEMBL3917950 0.73 CNR2 (0.53) MEN1KMT2AGAAL3MBTL1CYP3A4
SCHEMBL2775584 0.73 MEN1 (0.53) MEN1KMT2AGAAL3MBTL1LMNA
SCHEMBL2775579 0.73 MEN1 (0.53) MEN1KMT2AGAAL3MBTL1LMNA
SCHEMBL2775582 0.73 MEN1 (0.53) MEN1KMT2AGAAL3MBTL1LMNA
SCHEMBL2762171 0.73 APEX1 (0.79) MEN1KMT2AGAALMNASMN1; SMN2
SCHEMBL13588573 0.73 CNR2 (0.72)
SCHEMBL1863037 0.73 KMT2A (0.61) MEN1KMT2AGAAL3MBTL1LMNA
SCHEMBL2774928 0.71 MEN1 (0.51) MEN1KMT2AGAAL3MBTL1LMNA

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 2 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-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 MEN1 4320/4885KMT2A 3594/4885GAA 1987/4885

“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.