SCHEMBL17595016

SCHEMBL17595016

Cn1c(-c2cc(C(=O)O)nc(C(=O)O)c2)cc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
MCL1 Q07820 1/20 0.55
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
RECQL P46063 1/20 0.49
STAT6 P42226 1/20 0.47
APP P05067 3/20 0.45
FASN P49327 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DAO P14920 1/20 0.44
ADRA2A P08913 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP19A1 P11511 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL21044380 0.84 KMT2A (0.54) KMT2AMCL1ALDH1A1HPGDKDM4E
SCHEMBL29581156 0.78 KMT2A (1.00) KMT2AMCL1ALDH1A1HPGDKDM4E
SCHEMBL214075 0.78 KMT2A (1.00) KMT2AMCL1ALDH1A1HPGDKDM4E
SCHEMBL22887216 0.78 KMT2A (0.66) KMT2AMCL1ALDH1A1HPGDKDM4E
SCHEMBL1605888 0.77 KMT2A (0.56) KMT2AMCL1ALDH1A1HPGDKDM4E
SCHEMBL11687991 0.75 KMT2A (0.92) KMT2AMCL1ALDH1A1HPGDKDM4E
SCHEMBL10103705 0.74 KMT2A (0.76) KMT2AMCL1ALDH1A1HPGDKDM4E
SCHEMBL3692718 0.74 KMT2A (0.65) KMT2AMCL1ALDH1A1HPGDKDM4E
SCHEMBL8304311 0.73 KMT2A (0.81) KMT2AMCL1ALDH1A1HPGDKDM4E
SCHEMBL20476723 0.72 KMT2A (0.73) KMT2AMCL1ALDH1A1HPGDKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191451-B1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INST SCIENCE & TECH SCHOOL CORP (JP) 2019-06-05 EP claimed
US-20170217889-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2017-08-03 US claimed
EP-3191451-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME Okinawa Institute of Science and Technology School Corporation (JP) 2017-07-19 EP claimed
WO-2016038890-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2016-03-17 WO claimed

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-20170217889-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME PDK2, PKD1, PDHA2 KMT2A 1356/4885MCL1 1099/4885ALDH1A1 181/4885

“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.