SCHEMBL3304740

SCHEMBL3304740

Nc1ccc2c(c1)C(=O)N(C(=O)O)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 4/20 0.53
HPGD P15428 2/20 0.53
CRBN Q96SW2 1/20 0.44
HSD17B3 P37058 1/20 0.41
CASP1 P29466 4/20 0.40
HSD17B10 Q99714 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 3/20 0.36
TYMS P04818 1/20 0.35
BRD4 O60885 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
CYP2D6 P10635 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
TSHR P16473 2/20 0.35

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
SCHEMBL2144707 0.87 CRBN (0.44) ALDH1A1KDM4EHPGDCRBNHSD17B3
SCHEMBL18586593 0.81 CRBN (0.45) ALDH1A1KDM4EHPGDCRBNMEN1
SCHEMBL2145067 0.78 NR1H2 (0.54) ALDH1A1KDM4EHPGDCRBNHSD17B3
SCHEMBL14876263 0.76 KDM4E (0.67) ALDH1A1KDM4EHPGDCRBNCASP1
SCHEMBL2065531 0.75 KDM4E (0.57) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL29606824 0.75 KDM4E (0.57) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL2144236 0.75 CA9 (0.46) ALDH1A1CASP1MEN1KMT2AGAA
SCHEMBL2144223 0.75 CA9 (0.46) ALDH1A1CASP1MEN1KMT2AGAA
SCHEMBL5307734 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDCRBNCASP1
Hydrochloric Acid SCHEMBL11289267 0.74 KDM4E (0.55) ALDH1A1KDM4EHSD17B10MEN1KMT2A

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-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US disclosed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 US disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 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 (2 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-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 ALDH1A1 1694/4885KDM4E 1965/4885HPGD 1179/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 ALDH1A1 1694/4885KDM4E 1965/4885HPGD 1179/4885

“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.