SCHEMBL13034826

SCHEMBL13034826

Cc1nc2ccc(CC(C)C)cc2n1C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 6/20 0.43
NPC1 O15118 4/20 0.43
MCHR1 Q99705 1/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.40
ESRRA P11474 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX5AP P20292 4/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
AAK1 Q2M2I8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL13034825 0.87 RAB9A (0.54) KDM4EALDH1A1LMNARAB9ANPC1
SCHEMBL13073711 0.81 KDM4E (0.51) KDM4EALDH1A1LMNARAB9ANPC1
SCHEMBL8193863 0.80 KDM4E (0.50) KDM4EALDH1A1LMNARAB9ANPC1
SCHEMBL8193866 0.80 KDM4E (0.50) KDM4EALDH1A1LMNARAB9ANPC1
SCHEMBL12853148 0.79 MCHR1 (0.39) KDM4EALDH1A1LMNARAB9ANPC1
SCHEMBL6118351 0.77 KDM4E (0.47) KDM4EALDH1A1LMNARAB9ANPC1
SCHEMBL13677547 0.75 LMNA (0.51) KDM4EALDH1A1LMNARAB9ANPC1
SCHEMBL1104857 0.73 KDM4E (0.58) KDM4EALDH1A1LMNARAB9ANPC1
SCHEMBL10130169 0.72 KEAP1 (0.46) KDM4EALDH1A1RAB9ANPC1MAPT
SCHEMBL9664756 0.71 CYP19A1 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 3905/4885ALDH1A1 1430/4885LMNA 4179/4885

“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.