SCHEMBL13627922

SCHEMBL13627922

Cc1cccc(CN2C(=O)/C(=N\O)c3cc(C)ccc32)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
HSP90AA1 P07900 1/20 0.45
MAPT P10636 6/20 0.45
LMNA P02545 6/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 3/20 0.44
TP53 P04637 5/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.42
RCE1 Q9Y256 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL13627917 0.91 ACHE (0.52) ACHEHSP90AA1MAPTLMNAALDH1A1
SCHEMBL13627906 0.90 ALDH1A1 (0.52) ACHELMNAALDH1A1KMT2AUSP2
SCHEMBL13627933 0.90 TP53 (0.53) MAPTLMNAALDH1A1POLBTP53
SCHEMBL13627948 0.90 TRPA1 (0.48) MAPTLMNAALDH1A1KMT2AATM
SCHEMBL13627923 0.90 UBE2N (0.52) ACHEHSP90AA1MAPTLMNAALDH1A1
SCHEMBL13627896 0.90 ALDH1A1 (0.53) ACHEMAPTLMNAALDH1A1POLB
SCHEMBL13627921 0.88 ACHE (0.58) ACHEHSP90AA1MAPTLMNAALDH1A1
SCHEMBL13627872 0.87 HSP90AA1 (0.56) ACHEHSP90AA1MAPTALDH1A1TP53
SCHEMBL13627913 0.86 CASP1 (0.56) ACHEHSP90AA1MAPTLMNAALDH1A1
SCHEMBL13627889 0.85 ACHE (0.54) ACHEHSP90AA1MAPTLMNAALDH1A1

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 ACHE 4079/4885HSP90AA1 714/4885MAPT 1666/4885

“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.