SCHEMBL15840783

SCHEMBL15840783

CCOc1ccc2nc(Nc3nc(=O)c(Cc4ccc(C)cc4)c(C)[nH]3)nc(C)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.61
ALDH1A1 P00352 8/20 0.52
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
LMNA P02545 4/20 0.52
USP2 O75604 2/20 0.52
RAB9A P51151 2/20 0.52
MAPT P10636 10/20 0.51
TSHR P16473 1/20 0.51
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP2 O95551 1/20 0.48
STAT3 P40763 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALPL P05186 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL16797471 0.89 AURKA (0.67) AURKAALDH1A1KMT2AMEN1LMNA
SCHEMBL16797475 0.85 AURKA (0.70) AURKAALDH1A1KMT2AMEN1LMNA
SCHEMBL15840776 0.84 MAPT (0.59) AURKAALDH1A1KMT2AMEN1LMNA
SCHEMBL15840832 0.78 MAPT (0.55) AURKAALDH1A1KMT2AMEN1LMNA
SCHEMBL15840607 0.75 MAPT (0.83) AURKAALDH1A1KMT2AMEN1LMNA
SCHEMBL15840699 0.74 AURKA (0.71) AURKAALDH1A1KMT2AMEN1LMNA
SCHEMBL837878 0.73 TDP2 (0.74) AURKAALDH1A1KMT2AMEN1LMNA
SCHEMBL30917202 0.73 TDP2 (0.74) AURKAALDH1A1KMT2AMEN1LMNA
SCHEMBL15840774 0.72 MAPT (0.61) AURKAALDH1A1KMT2AMEN1LMNA
SCHEMBL15840686 0.71 ALDH1A1 (0.51) AURKAALDH1A1KMT2AMEN1LMNA

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.