SCHEMBL6072767

SCHEMBL6072767

N#Cc1c(-c2ccccc2F)nc2ccccc2c1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.60
ADORA1 P30542 4/20 0.60
ADORA2B P29275 2/20 0.50
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
GLA P06280 2/20 0.45
HPGD P15428 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
RAD52 P43351 1/20 0.45

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
SCHEMBL5138971 0.85 PIP4K2A (0.58) ADORA2AADORA1ADORA2BALDH1A1KDM4E
SCHEMBL6072331 0.83 BCHE (0.53) ADORA2AADORA1ALDH1A1KDM4EGLA
SCHEMBL6072047 0.82 ACP1 (0.45) ADORA2AADORA1ALDH1A1KDM4EGLA
SCHEMBL9791332 0.80 ADORA1 (0.62) ADORA2AADORA1ADORA2BALDH1A1KDM4E
SCHEMBL6072087 0.80 ADORA1 (0.65) ADORA2AADORA1ADORA2BALDH1A1KDM4E
SCHEMBL6072030 0.79 ADORA2A (0.46) ADORA2AADORA1ALDH1A1KDM4EGLA
SCHEMBL6072774 0.77 ALDH1A1 (0.54) ADORA2AADORA1ADORA2BALDH1A1KDM4E
SCHEMBL6252164 0.75 KDM4E (0.60) ADORA2AADORA1ALDH1A1KDM4EGLA
SCHEMBL16014103 0.73 ADORA2A (0.52) ADORA2AADORA1ADORA2BALDH1A1KDM4E
SCHEMBL18459144 0.72 KDM4E (0.56) ADORA2AADORA1ADORA2BALDH1A1KDM4E

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 ADORA2A 2729/4885ADORA1 2355/4885ADORA2B 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.