SCHEMBL15840657

SCHEMBL15840657

Cc1cc(C)c2nc(Nc3nc(=O)c(C)c(C)[nH]3)nc(C)c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.72
TP53 P04637 1/20 0.68
STAT1 P42224 1/20 0.68
MAPT P10636 6/20 0.53
POLB P06746 1/20 0.53
HSD17B10 Q99714 3/20 0.47
PARP1 P09874 1/20 0.43
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 2/20 0.38
TDP2 O95551 1/20 0.38
NPC1 O15118 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL15840676 0.81 STAT3 (1.00) STAT3TP53STAT1MAPTPOLB
SCHEMBL15840774 0.80 MAPT (0.61) STAT3MAPTHSD17B10ALDH1A1KMT2A
SCHEMBL838117 0.80 ALDH1A1 (0.47) STAT3TP53STAT1MAPTPOLB
SCHEMBL15840753 0.78 STAT3 (0.71) STAT3TP53STAT1MAPTPOLB
SCHEMBL15836645 0.78 CREBBP (0.59) STAT3MAPTHSD17B10ALDH1A1KMT2A
SCHEMBL15840602 0.76 STAT3 (0.69) STAT3TP53STAT1MAPTPOLB
SCHEMBL15840610 0.75 STAT3 (0.60) STAT3TP53STAT1MAPTPOLB
SCHEMBL837878 0.71 TDP2 (0.74) STAT3MAPTPOLBHSD17B10ALDH1A1
SCHEMBL30917202 0.71 TDP2 (0.74) STAT3MAPTPOLBHSD17B10ALDH1A1
SCHEMBL15840835 0.71 MAPT (0.81) STAT3TP53STAT1MAPTPOLB

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 429/4885TP53 230/4885STAT1 3431/4885

“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.