SCHEMBL13628003

SCHEMBL13628003

Cc1cc(Cl)cc2c1N(Cc1ccccn1)C(=O)/C2=N\O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
ADRA1D P25100 1/20 0.40
LMNA P02545 2/20 0.39
MDM4 O15151 1/20 0.38
MDM2 Q00987 1/20 0.38
SCN9A Q15858 2/20 0.38
SCN5A Q14524 1/20 0.38
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
CYP1B1 Q16678 1/20 0.37
GRM5 P41594 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 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
SCHEMBL13628009 0.89 KMT2A (0.48) MEN1ALDH1A1KMT2APKMADRA1D
SCHEMBL13627968 0.81 ALDH1A1 (0.49) MEN1ALDH1A1KMT2APKMADRA1D
SCHEMBL13628011 0.77 DRD4 (0.41) HSD17B10DRD4
SCHEMBL13627997 0.77 GRIN1 (0.36) MEN1ALDH1A1KMT2AGRIN1GRIN2B
SCHEMBL13628012 0.76 LMNA (0.43) ALDH1A1LMNASCN9APOLBSMN1; SMN2
SCHEMBL13627996 0.76 CHRM5 (0.50) SMN1; SMN2TP53MAPTHTT
SCHEMBL13627999 0.75 CHRM5 (0.43) MEN1ALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL13628000 0.75 TP53 (0.42) ALDH1A1ADRA1DTP53MAPT
SCHEMBL13628001 0.73 CHRM5 (0.40) MEN1ALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL13627998 0.73 ALDH1A1 (0.47) ALDH1A1LMNAMDM2POLBSMN1; SMN2

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 MEN1 4320/4885ALDH1A1 4310/4885KMT2A 3594/4885

“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.