SCHEMBL6883434

SCHEMBL6883434

COC(=O)c1cc(N)c2nc(-c3ccc(C)s3)nn2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.46
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK14 Q16539 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6882930 0.83 ADORA2A (0.67) ADORA2AKDM4EALDH1A1GLAGAA
SCHEMBL6883012 0.82 ADORA2A (0.44) ADORA2AMEN1KMT2A
SCHEMBL6879225 0.81 ADORA2A (0.62) ADORA2AKDM4EALDH1A1HPGD
SCHEMBL6879136 0.81 ADORA2A (0.70) ADORA2AALDH1A1HPGDATMKMT2A
SCHEMBL6883910 0.80 ADORA2A (0.69) ADORA2AHPGDATMKMT2A
SCHEMBL4663631 0.80 KDM4E (0.42) ADORA2AKDM4EALDH1A1GLAGAA
SCHEMBL6885011 0.80 ADORA2A (0.47) ADORA2AKDM4EALDH1A1GLAGAA
SCHEMBL6882517 0.79 ADORA2A (0.63) ADORA2AHPGDATMKMT2A
SCHEMBL6885567 0.79 ADORA2A (0.52) ADORA2AKDM4EALDH1A1MAPTHPGD
SCHEMBL6883010 0.78 ADORA2A (0.64) ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689790-B2 8-AMINO-6-AMIDO-SUBSTITUTED-(1,2,4)TRIAZOLO(1,5-A)PYRIDINES; ADENOSINE RECEPTOR MODULATERS HOFFMANN-LA ROCHE INC. 2004-02-10 US disclosed
US-20030207911-A1 Substituted triazolopyridine compounds HOFFMANN-LA ROCHE INC. 2003-11-06 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-20030207911-A1 Substituted triazolopyridine compounds ADORA1, CNR1, ADORA2B ADORA2A 5/4885KDM4E 4623/4885ALDH1A1 1374/4885

“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.