SCHEMBL15840602

SCHEMBL15840602

Cc1cc(C)c2nc(Nc3nc4c(c(=O)[nH]3)CCCC4)nc(C)c2c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.69
ALPL P05186 1/20 0.63
ALPI P09923 1/20 0.63
ALPG P10696 1/20 0.63
TP53 P04637 2/20 0.63
STAT1 P42224 1/20 0.63
MAPT P10636 6/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
POLB P06746 2/20 0.52
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.44
OPRK1 P41145 1/20 0.43
HPGD P15428 1/20 0.42
PARP1 P09874 1/20 0.42
CXCR2 P25025 2/20 0.42
LMNA P02545 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
SCHEMBL15840582 0.79 ALPL (0.65) STAT3ALPLALPIALPGTP53
SCHEMBL15840676 0.77 STAT3 (1.00) STAT3TP53STAT1MAPTSMN1; SMN2
SCHEMBL15840753 0.76 STAT3 (0.71) STAT3TP53STAT1MAPTSMN1; SMN2
SCHEMBL15840657 0.76 STAT3 (0.72) STAT3ALPLALPIALPGTP53
SCHEMBL15840610 0.71 STAT3 (0.60) STAT3ALPLALPIALPGTP53
SCHEMBL9878449 0.69 MAPT (0.66) ALPLALPIALPGTP53MAPT
SCHEMBL23021122 0.69 MAPT (0.57) STAT3ALPLALPIALPGTP53
SCHEMBL15840835 0.68 MAPT (0.81) STAT3ALPLTP53STAT1MAPT
SCHEMBL2495418 0.67 MAPT (0.49) STAT3ALPLALPIALPGTP53
SCHEMBL9878904 0.67 MAPT (0.75) ALPLALPIALPGTP53MAPT

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 STAT3 429/4885ALPL 4629/4885ALPI 4533/4885

“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.