SCHEMBL13034836

SCHEMBL13034836

CC(C)Cc1ccc2nc(C(C)C)[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
ALOX15 P16050 1/20 0.59
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 1/20 0.47
CYP1A2 P05177 1/20 0.46
AAK1 Q2M2I8 4/20 0.45
SCN10A Q9Y5Y9 3/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44
HTT P42858 2/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPY5R Q15761 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
ALPL P05186 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
SCHEMBL20178503 0.87 LMNA (0.53) ALDH1A1ALOX15KDM4ELMNAHSD17B10
SCHEMBL10141265 0.85 ALDH1A1 (0.60) ALDH1A1ALOX15KDM4ELMNAHSD17B10
SCHEMBL4240625 0.84 ALDH1A1 (0.63) ALDH1A1ALOX15KDM4ELMNAHSD17B10
SCHEMBL8192405 0.84 ALDH1A1 (0.59) ALDH1A1ALOX15KDM4ELMNAHSD17B10
SCHEMBL13486446 0.81 KDM4E (0.54) ALDH1A1ALOX15KDM4EMAPTCYP1A2
SCHEMBL21676250 0.81 CYP1A2 (0.51) ALDH1A1ALOX15KDM4ELMNAHSD17B10
SCHEMBL20055055 0.80 S1PR4 (0.63) ALDH1A1ALOX15KDM4ELMNAHSD17B10
SCHEMBL9296252 0.79 NT5E (0.60) ALDH1A1KDM4ELMNAHSD17B10MAPT
SCHEMBL19132613 0.79 KDM4E (0.48) ALDH1A1ALOX15KDM4ELMNAHSD17B10
SCHEMBL25497958 0.79 HSD17B10 (0.51) ALDH1A1ALOX15KDM4ELMNAHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 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-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 ALDH1A1 1430/4885ALOX15 3382/4885KDM4E 3905/4885

“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.