SCHEMBL25970657

SCHEMBL25970657

CC1COCCN1c1cnc2c(c1)c(I)cn2C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 13/20 0.43
ATR Q13535 1/20 0.41
BRD4 O60885 1/20 0.40
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
MET P08581 2/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL18892244 0.87 ATR (0.40) PIK3C3ATRPDCD1CD274MET
SCHEMBL13745998 0.80 BRD4 (0.45) BRD4MET
SCHEMBL18860623 0.79 ATR (0.45) PIK3C3ATRBRD4PDCD1CD274
SCHEMBL18892245 0.76 PIK3C3 (0.46) PIK3C3ATRPDCD1CD274MET
SCHEMBL18860561 0.76 MAPK1 (0.51) PIK3C3ATRPDCD1CD274MAPK1
SCHEMBL25970829 0.76 BRD4 (0.42) BRD4METMAPK1
SCHEMBL25970763 0.74 BRD4 (0.45) PIK3C3BRD4MAPK1
SCHEMBL25970869 0.74 BRD4 (0.43) BRD4MAPK1
SCHEMBL25970660 0.74 BRD4 (0.40) BRD4METPDE3BPDE3A
SCHEMBL25970793 0.73 BRD4 (0.40) BRD4MAPK1

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-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors AGV DISCOVERY (FR) 2023-07-25 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-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors MAPKAPK2, MAPK1, MAPK3 PIK3C3 127/4885ATR 982/4885BRD4 1103/4885

“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.