SCHEMBL13627979

SCHEMBL13627979

O=C1/C(=N\O)c2cc(F)ccc2N1Cc1csc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.46
LMNA P02545 5/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.41
GFER P55789 1/20 0.41
AR P10275 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 2/20 0.40
RHOC P08134 1/20 0.39
RHOA P61586 1/20 0.39
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
SCN9A Q15858 4/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL13627969 0.92 PTGDR2 (0.51) PTGDR2LMNAALDH1A1L3MBTL1GFER
SCHEMBL13627963 0.86 LMNA (0.45) PTGDR2LMNAALDH1A1L3MBTL1HPGD
SCHEMBL13628013 0.86 CHRM5 (0.49) PTGDR2
SCHEMBL13911252 0.80 SMN1; SMN2 (0.34) LMNAALDH1A1L3MBTL1HPGDSMN1; SMN2
SCHEMBL13628012 0.79 LMNA (0.43) PTGDR2LMNAALDH1A1L3MBTL1POLB
SCHEMBL13627995 0.78 LMNA (0.42) PTGDR2LMNAALDH1A1L3MBTL1MAPT
SCHEMBL13627937 0.76 CHRM5 (0.55) LMNAALDH1A1L3MBTL1HPGD
SCHEMBL13910699 0.76 LMNA (0.45) LMNAALDH1A1L3MBTL1HPGDPOLB
SCHEMBL13627928 0.76 ALDH3A1 (0.51) LMNAALDH1A1L3MBTL1HPGD
SCHEMBL13910884 0.75 PTGDR2 (0.36) PTGDR2LMNAALDH1A1L3MBTL1SMN1; 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 5 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
EP-1175399-B1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) VERTEX PHARMA (US) 2009-03-11 EP 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 PTGDR2 2760/4885LMNA 2123/4885ALDH1A1 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.