SCHEMBL15840690

SCHEMBL15840690

Cc1nc(Nc2nc(C)c3cccc(C)c3n2)[nH]c(=O)c1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MAPT P10636 5/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
STAT3 P40763 1/20 0.48
LMNA P02545 4/20 0.47
MEN1 O00255 3/20 0.47
RAB9A P51151 2/20 0.47
USP2 O75604 2/20 0.47
ALPL P05186 1/20 0.47
ALPI P09923 1/20 0.47
ALPG P10696 1/20 0.47
HSD17B10 Q99714 5/20 0.47
HTT P42858 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
XBP1 P17861 1/20 0.44
AURKA O14965 1/20 0.44
ALOX15 P16050 1/20 0.43

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
SCHEMBL15840765 0.91 ALDH1A1 (0.52) ALDH1A1MAPTKMT2ASMN1; SMN2STAT3
SCHEMBL15840587 0.85 MAPT (0.52) ALDH1A1MAPTKMT2ASMN1; SMN2STAT3
SCHEMBL15840687 0.83 ALDH1A1 (0.50) ALDH1A1MAPTKMT2ASMN1; SMN2STAT3
SCHEMBL15840698 0.79 AURKA (0.46) ALDH1A1MAPTKMT2ASMN1; SMN2STAT3
SCHEMBL15840763 0.74 ALDH1A1 (0.62) ALDH1A1MAPTKMT2ASMN1; SMN2STAT3
SCHEMBL15840709 0.74 MAPT (0.52) ALDH1A1MAPTKMT2ASMN1; SMN2STAT3
SCHEMBL23657581 0.73 ALDH1A1 (0.60) ALDH1A1MAPTKMT2ASMN1; SMN2STAT3
SCHEMBL15840784 0.73 MAPT (0.56) ALDH1A1MAPTKMT2ASMN1; SMN2STAT3
SCHEMBL15840606 0.73 MAPT (0.67) ALDH1A1MAPTKMT2ASMN1; SMN2STAT3
SCHEMBL15840728 0.72 ALPL (0.56) ALDH1A1MAPTKMT2ASMN1; SMN2STAT3

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 ALDH1A1 4348/4885MAPT 1076/4885KMT2A 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.