SCHEMBL15840698

SCHEMBL15840698

CCOc1cccc2c(C)nc(Nc3nc(C)c(Cc4ccc(C)cc4)c(=O)[nH]3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.46
ALDH1A1 P00352 9/20 0.44
KMT2A Q03164 4/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 3/20 0.44
USP2 O75604 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TSHR P16473 1/20 0.42
STAT3 P40763 1/20 0.41
PKM P14618 1/20 0.41
CREBBP Q92793 1/20 0.41
HSD17B10 Q99714 2/20 0.40
ADORA2B P29275 1/20 0.39
THRB P10828 2/20 0.39
HPGD P15428 1/20 0.38
XBP1 P17861 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37

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
SCHEMBL15840824 0.84 STAT3 (0.55) AURKAALDH1A1KMT2ARAB9ALMNA
SCHEMBL15840589 0.84 AURKA (0.46) AURKAALDH1A1KMT2ARAB9ALMNA
SCHEMBL15840690 0.79 ALDH1A1 (0.55) AURKAALDH1A1KMT2ARAB9ALMNA
SCHEMBL15840763 0.79 ALDH1A1 (0.62) AURKAALDH1A1KMT2ARAB9ALMNA
SCHEMBL15840784 0.78 MAPT (0.56) AURKAALDH1A1KMT2ARAB9ALMNA
SCHEMBL15840765 0.77 ALDH1A1 (0.52) AURKAALDH1A1KMT2ARAB9ALMNA
SCHEMBL23657581 0.76 ALDH1A1 (0.60) ALDH1A1KMT2ARAB9ALMNAUSP2
SCHEMBL15840593 0.75 MAPT (0.77) ALDH1A1KMT2ALMNAUSP2MEN1
SCHEMBL2466688 0.75 ALPL (0.43) AURKAALDH1A1KMT2ALMNAMEN1
SCHEMBL15840599 0.74 ALDH1A1 (0.50) ALDH1A1KMT2ARAB9ALMNAUSP2

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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 AURKA 157/4885ALDH1A1 4348/4885KMT2A 3667/4885

“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.