SCHEMBL13628106

SCHEMBL13628106

COc1ccc2c(CN3C(=O)/C(=N/O)c4ccc(-c5ccc6ccccc6c5)cc43)cc(=O)oc2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.47
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 6/20 0.45
POLB P06746 1/20 0.45
LCK P06239 1/20 0.44
HPGD P15428 4/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP2D6 P10635 2/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
CDC25C P30307 1/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13628101 0.91 CYP19A1 (0.48) CYP19A1KDM4EALDH1A1POLBLCK
SCHEMBL13628114 0.87 CYP19A1 (0.46) CYP19A1KDM4EALDH1A1POLBLCK
SCHEMBL13628095 0.87 CYP19A1 (0.46) CYP19A1KDM4EALDH1A1POLBLCK
SCHEMBL13910880 0.85 CYP19A1 (0.46) CYP19A1KDM4EALDH1A1POLBLCK
SCHEMBL13628130 0.85 CYP19A1 (0.46) CYP19A1KDM4EALDH1A1POLBLCK
SCHEMBL13910973 0.84 CYP19A1 (0.44) CYP19A1KDM4EALDH1A1POLBLCK
SCHEMBL13628121 0.83 CYP19A1 (0.49) CYP19A1KDM4EALDH1A1POLBLCK
SCHEMBL13628109 0.72 CCNC (0.41) ALDH1A1POLBHPGDHSD17B10MEN1
SCHEMBL13628107 0.71 TRPA1 (0.50) POLBHSD17B10GAA
SCHEMBL13628105 0.69 MAPT (0.45) ALDH1A1POLBHPGDLMNANPSR1

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 CYP19A1 4684/4885KDM4E 2171/4885ALDH1A1 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.