SCHEMBL14595477

SCHEMBL14595477

CNC(=N)NCc1ccco1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 7/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 4/20 0.51
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 4/20 0.50
EPHX2 P34913 3/20 0.50
POLB P06746 6/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
APEX1 P27695 1/20 0.49
RECQL P46063 1/20 0.49
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
PTPN7 P35236 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL14868617 0.92 ALDH1A1 (0.48) KMT2AGAAALDH1A1MAPTMEN1
SCHEMBL10591725 0.82 KMT2A (0.65) KMT2AGAAALDH1A1MAPTMEN1
SCHEMBL6695378 0.79 KMT2A (0.53) KMT2AGAAALDH1A1MAPTMEN1
SCHEMBL13584238 0.79 ALDH1A1 (0.46) KMT2AGAAALDH1A1MAPTMEN1
SCHEMBL2755805 0.79 EPHX2 (0.68) KMT2AGAAALDH1A1MAPTMEN1
SCHEMBL11597341 0.79 KMT2A (0.70) KMT2AGAAALDH1A1MAPTMEN1
SCHEMBL31284342 0.78 KMT2A (0.48) KMT2AGAAALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL8129113 0.78 KMT2A (0.51) KMT2AGAAALDH1A1MAPTMEN1
SCHEMBL10310225 0.78 KMT2A (0.59) KMT2AGAAALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL13584105 0.78 ALDH1A1 (0.44) KMT2AGAAALDH1A1MAPTMEN1

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-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases FINK CYNTHIA A 2007-03-15 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-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases BRAF, RAF1, NRAS KMT2A 1581/4885GAA 3215/4885ALDH1A1 1890/4885

“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.