SCHEMBL10320558

SCHEMBL10320558

Cc1ccc(C(=O)NCc2ccccc2)cc1C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
HPGD P15428 3/20 0.67
NR1H4 Q96RI1 1/20 0.58
SIRT2 Q8IXJ6 1/20 0.57
HDAC8 Q9BY41 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC1 Q13547 1/20 0.54
PPARG P37231 2/20 0.54
HDAC2 Q92769 2/20 0.54
RAB9A P51151 2/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.53
PLAU P00749 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HSD17B10 Q99714 2/20 0.51
CA2 P00918 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
ADORA1 P30542 1/20 0.51

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
SCHEMBL10322933 0.86 HDAC8 (0.56) ALDH1A1HPGDNR1H4HDAC8HDAC6
SCHEMBL10318178 0.86 NPC1 (0.53) ALDH1A1HPGDPPARGLMNACA2
SCHEMBL13947259 0.84 NR1H4 (0.80) ALDH1A1HPGDNR1H4HDAC8HDAC6
SCHEMBL10318418 0.83 PPARG (0.72) ALDH1A1HPGDSIRT2HDAC8HDAC6
SCHEMBL10319381 0.83 ALDH1A1 (0.70) ALDH1A1HPGDNR1H4HDAC8HDAC6
SCHEMBL10321589 0.82 GRM5 (0.51) ALDH1A1HPGDNR1H4SIRT2HDAC8
SCHEMBL10321484 0.82 TP53 (0.59) ALDH1A1HDAC8PPARGLMNAL3MBTL1
SCHEMBL25044511 0.80 ALDH1A1 (0.70) ALDH1A1HPGDNR1H4HDAC8HDAC6
SCHEMBL25389927 0.80 ALDH1A1 (0.70) ALDH1A1HPGDNR1H4HDAC8HDAC6
SCHEMBL10768550 0.80 ALDH1A1 (0.70) ALDH1A1HPGDNR1H4HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO claimed
WO-2012098066-A1 1,6- AND 1,8-NAPHTHYRIDINES USEFUL AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO claimed
WO-2012098070-A1 QUINOLINE DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO claimed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 US claimed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US claimed
US-20120184562-A1 1,6- AND 1,8-NAPHTHYRIDINES LUK KIN-CHUN (US) 2012-07-19 US claimed
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
WO-2012098066-A1 1,6- AND 1,8-NAPHTHYRIDINES USEFUL AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
WO-2012098070-A1 QUINOLINE DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
US-20120184562-A1 1,6- AND 1,8-NAPHTHYRIDINES LUK KIN-CHUN (US) 2012-07-19 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 (3 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-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES GOT1, PPARG, PPARA ALDH1A1 62/4885HPGD 743/4885NR1H4 169/4885
US-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD ALDH1A1 2619/4885HPGD 750/4885NR1H4 4061/4885
US-20120184562-A1 1,6- AND 1,8-NAPHTHYRIDINES PSEN1, BRCA1, PSEN2 ALDH1A1 738/4885HPGD 829/4885NR1H4 2490/4885

“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.