SCHEMBL13627950

SCHEMBL13627950

COc1ccc(CN2C(=O)/C(=N\O)c3ccccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.59
ACE P12821 1/20 0.57
CASP3 P42574 2/20 0.56
KDM4E B2RXH2 1/20 0.55
APP P05067 5/20 0.54
SNCA P37840 5/20 0.54
MEN1 O00255 1/20 0.52
APAF1 O14727 1/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
LRRK2 Q5S007 1/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL13627958 0.89 ALDH1A1 (0.52) MAPTALDH1A1LMNAPOLBACE
SCHEMBL13627880 0.85 ALDH1A1 (0.70) MAPTALDH1A1LMNAPOLBAPAF1
SCHEMBL7611054 0.85 ALDH1A1 (0.66) MAPTALDH1A1LMNAPOLBCASP3
SCHEMBL7611051 0.85 ALDH1A1 (0.66) MAPTALDH1A1LMNAPOLBCASP3
SCHEMBL13627964 0.84 UCHL3 (0.53) MAPTALDH1A1LMNAKDM4EMEN1
SCHEMBL13627881 0.84 CES1 (0.67) MAPTALDH1A1LMNAPOLBAPAF1
SCHEMBL13627970 0.83 CHRM5 (0.53) ALDH1A1ACECASP3KDM4ECMA1
SCHEMBL13627894 0.83 LMNA (0.59) MAPTALDH1A1LMNAPOLBCASP3
SCHEMBL29460856 0.82 CASP3 (0.76) MAPTALDH1A1CASP3KDM4EAPP
SCHEMBL2305451 0.82 CASP3 (0.76) MAPTALDH1A1CASP3KDM4EAPP

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 MAPT 1666/4885ALDH1A1 4310/4885LMNA 2123/4885

“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.