SCHEMBL6072087

SCHEMBL6072087

N#Cc1c(-c2ccc(F)cc2)nc2ccccc2c1N

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 14/20 0.65
ADORA2A P29274 12/20 0.65
ADORA2B P29275 3/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PIP4K2A P48426 1/20 0.49
SCN9A Q15858 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL9791332 0.90 ADORA1 (0.62) ADORA1ADORA2AADORA2BKMT2AKDM4E
SCHEMBL27914182 0.83 ADORA2A (0.68) ADORA1ADORA2AMEN1KMT2ASCN9A
SCHEMBL6072767 0.80 ADORA2A (0.60) ADORA1ADORA2AADORA2BKMT2APIP4K2A
SCHEMBL6072090 0.77 ADORA2A (0.56) ADORA1ADORA2AMEN1KMT2AKDM4E
SCHEMBL6252164 0.75 KDM4E (0.60) ADORA1ADORA2AKMT2AKDM4EALDH1A1
SCHEMBL6072331 0.74 BCHE (0.53) ADORA1ADORA2AMEN1KMT2AKDM4E
SCHEMBL6072047 0.74 ACP1 (0.45) ADORA1ADORA2AMEN1KMT2APIP4K2A
SCHEMBL6072030 0.73 ADORA2A (0.46) ADORA1ADORA2AKMT2APIP4K2AKDM4E
SCHEMBL28232225 0.73 ADORA2A (0.67) ADORA2AKMT2ASCN9AALDH1A1
SCHEMBL6826836 0.72 DHODH (0.73) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 ADORA1 2355/4885ADORA2A 2729/4885ADORA2B 3405/4885

“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.