SCHEMBL14837553

SCHEMBL14837553

CSc1nccc(-n2nnc3c(O)cccc32)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCNE1 P24864 5/20 0.34
CDK2 P24941 5/20 0.34
MAPK8 P45983 5/20 0.34
MAPK9 P45984 5/20 0.34
MAPK10 P53779 4/20 0.34
CYP2C9 P11712 2/20 0.34
TSHR P16473 2/20 0.33
METAP2 P50579 2/20 0.33
MMP2 P08253 1/20 0.33
CHRM1 P11229 1/20 0.33
COMT P21964 1/20 0.33
ADRA1A P35348 1/20 0.33
METAP1 P53582 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
KDM4E B2RXH2 3/20 0.33

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
SCHEMBL2513287 0.85 ALDH1A1 (0.37) LMNAMAPTALDH1A1GAASMN1; SMN2
SCHEMBL2512774 0.85 ALDH1A1 (0.37) LMNAMAPTALDH1A1GAASMN1; SMN2
SCHEMBL14837525 0.82 GRM2 (0.41) LMNAMAPTALDH1A1GAASMN1; SMN2
SCHEMBL473446 0.79 RAB9A (0.55) LMNAMAPTALDH1A1GAASMN1; SMN2
SCHEMBL14837592 0.78 ALDH1A1 (0.35) LMNAMAPTALDH1A1GAASMN1; SMN2
SCHEMBL5096582 0.74 MAPT (0.41) LMNAMAPTALDH1A1GAASMN1; SMN2
SCHEMBL3824181 0.71 MKNK1 (0.48) LMNAMAPTALDH1A1GAASMN1; SMN2
SCHEMBL5095741 0.67 MAPK8 (0.39) LMNAMAPTALDH1A1GAASMN1; SMN2
SCHEMBL2903449 0.67 KCNMA1 (0.45) MAPTALDH1A1GAASMN1; SMN2TSHR
SCHEMBL3821081 0.66 ALDH1A1 (0.39) LMNAMAPTALDH1A1GAASMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576559-B1 INHIBITORS OF JNK HOFFMANN LA ROCHE (CH) 2015-03-04 EP disclosed
EP-2576559-B1 INHIBITORS OF JNK HOFFMANN LA ROCHE (CH) 2015-03-04 EP disclosed
EP-2576559-A1 INHIBITORS OF JNK F.HOFFMANN-LA ROCHE AG (CH) 2013-04-10 EP disclosed
US-20110301170-A1 Inhibitors of JNK GONG LEYI (US) 2011-12-08 US disclosed
US-20110301170-A1 Inhibitors of JNK GONG LEYI (US) 2011-12-08 US disclosed
US-20110301170-A1 Inhibitors of JNK GONG LEYI (US) 2011-12-08 US disclosed
WO-2011151357-A1 INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2011-12-08 WO disclosed
WO-2011151357-A1 INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2011-12-08 WO 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-20110301170-A1 Inhibitors of JNK MAPK6, MAP3K6, MAPK1 LMNA 1791/4885MAPT 1269/4885ALDH1A1 4295/4885

“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.