SCHEMBL15840757

SCHEMBL15840757

COc1cccc2c(C)nc(Nc3nc(C)cc(=O)[nH]3)nc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.62
ALDH1A1 P00352 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
CREBBP Q92793 2/20 0.62
PKM P14618 1/20 0.62
STAT3 P40763 2/20 0.61
TP53 P04637 1/20 0.60
STAT1 P42224 1/20 0.60
MAPT P10636 6/20 0.51
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 1/20 0.48
MITF O75030 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
PAX8 Q06710 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TAAR1 Q96RJ0 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46

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
SCHEMBL15840817 0.86 MAPK1 (0.70) KMT2AALDH1A1SMN1; SMN2CREBBPPKM
SCHEMBL15840588 0.86 ALDH1A1 (0.60) KMT2AALDH1A1SMN1; SMN2CREBBPPKM
SCHEMBL15840827 0.84 MAPK1 (0.59) KMT2AALDH1A1SMN1; SMN2CREBBPPKM
SCHEMBL15840596 0.84 MAPT (0.63) KMT2AALDH1A1SMN1; SMN2CREBBPPKM
SCHEMBL15840598 0.83 ALDH1A1 (0.59) KMT2AALDH1A1SMN1; SMN2CREBBPPKM
SCHEMBL22853716 0.81 ALDH1A1 (0.52) KMT2AALDH1A1SMN1; SMN2CREBBPPKM
SCHEMBL15840763 0.79 ALDH1A1 (0.62) KMT2AALDH1A1SMN1; SMN2CREBBPPKM
SCHEMBL15840784 0.78 MAPT (0.56) KMT2AALDH1A1SMN1; SMN2CREBBPPKM
SCHEMBL15840582 0.77 ALPL (0.65) KMT2AALDH1A1SMN1; SMN2CREBBPPKM
SCHEMBL15840599 0.76 ALDH1A1 (0.50) KMT2AALDH1A1SMN1; SMN2CREBBPPKM

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 KMT2A 3667/4885ALDH1A1 4348/4885SMN1; SMN2 3999/4885

“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.