SCHEMBL7709117

SCHEMBL7709117

Cc1cc2[nH]nc(C)c2c(-c2ccco2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.44
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 6/20 0.43
TDP1 Q9NUW8 5/20 0.43
POLB P06746 4/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 4/20 0.43
ALOX15 P16050 3/20 0.43
HSD17B10 Q99714 3/20 0.43
MEN1 O00255 3/20 0.43
PTPN7 P35236 3/20 0.43
RECQL P46063 3/20 0.43
BLM P54132 3/20 0.43
KMT2A Q03164 3/20 0.43
PKM P14618 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
THRB P10828 2/20 0.43
ALOX12 P18054 2/20 0.43

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
SCHEMBL381537 0.79 LRRK2 (0.49) PDE10AKDM4EALDH1A1TDP1POLB
SCHEMBL7706372 0.70 PDE10A (0.42) PDE10AKDM4EALDH1A1TDP1POLB
SCHEMBL1057286 0.68 HSP90AA1 (0.37) PDE10AKDM4EALDH1A1TDP1POLB
SCHEMBL12146425 0.68 TDP1 (0.53) KDM4EALDH1A1TDP1POLBMAPT
SCHEMBL27674646 0.68 ITK (0.51) PDE10AKDM4EALDH1A1TDP1POLB
SCHEMBL12066998 0.68 HSP90AA1 (0.41) PDE10AKDM4EALDH1A1TDP1POLB
SCHEMBL12067000 0.68 PDE10A (0.40) PDE10AKDM4EALDH1A1TDP1POLB
Hydrochloric Acid SCHEMBL1055664 0.67 HSP90AA1 (0.37) PDE10AKDM4EALDH1A1TDP1POLB
SCHEMBL3685471 0.67 ALDH1A1 (0.53) PDE10AKDM4EALDH1A1TDP1POLB
SCHEMBL3186863 0.67 GRM5 (0.49) KDM4EALDH1A1MAPTHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130267513-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2013-10-10 US disclosed
US-20130267513-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2013-10-10 US disclosed
WO-2011141756-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-11-17 WO 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-20130267513-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 LRRK2, PARK7, GRK3 PDE10A 2101/4885KDM4E 3189/4885ALDH1A1 4327/4885

“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.