SCHEMBL6879422

SCHEMBL6879422

COC(=O)c1cc(N)c2nc(-c3nccs3)nn2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
PPARG P37231 1/20 0.43
MAPK10 P53779 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
ADORA2A P29274 14/20 0.43
DHFR P00374 1/20 0.40
ADORA1 P30542 3/20 0.39
ADORA2B P29275 1/20 0.39
HPGD P15428 2/20 0.38
SYK P43405 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 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
SCHEMBL6884956 0.80 ADORA2A (0.67) ADORA2AHPGD
SCHEMBL6882930 0.80 ADORA2A (0.67) ALDH1A1KMT2AADORA2AADORA1HPGD
SCHEMBL6871457 0.78 ADORA2A (0.66) ADORA2A
SCHEMBL6884168 0.77 ADORA2A (0.54) ADORA2AADORA1ADORA2BHPGD
SCHEMBL6885540 0.77 ADORA2A (0.62) ADORA2AADORA1HPGD
SCHEMBL4663631 0.76 KDM4E (0.42) ALDH1A1NPSR1ADORA2AHPGD
SCHEMBL6885011 0.76 ADORA2A (0.47) ALDH1A1MAPK10KMT2ANPSR1ADORA2A
SCHEMBL6883434 0.76 ADORA2A (0.46) ALDH1A1KMT2AADORA2AHPGD
SCHEMBL6878009 0.75 ADORA2A (0.63) ALDH1A1ADORA2AHPGD
SCHEMBL6872077 0.74 ADORA2A (0.42) ALDH1A1PPARGMAPK10KMT2ANPSR1

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 ALDH1A1 1374/4885PPARG 977/4885MAPK10 3114/4885

“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.