SCHEMBL25970628

SCHEMBL25970628

Cn1cc(I)c2cc(N3CCCCC3)cnc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
CHRNB2 P17787 4/20 0.37
CHRNA4 P43681 4/20 0.37
HRH4 Q9H3N8 1/20 0.35
MET P08581 2/20 0.35
HASPIN Q8TF76 1/20 0.35
MAP4K4 O95819 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 3/20 0.33
IP6K1 Q92551 2/20 0.33
HTR3A P46098 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL25970672 0.88 HTR3A (0.44) BRD4HRH4METMAPTHTR3A
SCHEMBL25970829 0.87 BRD4 (0.42) BRD4METKDM4EMAPTMEN1
SCHEMBL13745998 0.86 BRD4 (0.45) BRD4METKDM4EMAPTMEN1
SCHEMBL25970880 0.86 BRD4 (0.42) BRD4CHRNB2CHRNA4METHASPIN
SCHEMBL18892213 0.82 CHRNB2 (0.36) CHRNB2CHRNA4HRH4METMAP4K4
SCHEMBL18892001 0.81 CHRNB2 (0.37) CHRNB2CHRNA4METMAP4K4KDM4E
SCHEMBL25970639 0.80 MET (0.42) BRD4METKDM4EMAPTMEN1
SCHEMBL25970635 0.80 BRD4 (0.41) BRD4METHASPINKDM4EALDH1A1
SCHEMBL25970769 0.78 BRD4 (0.43) BRD4METHASPINKDM4EMAPT
SCHEMBL25970789 0.78 BRD4 (0.43) BRD4HASPIN

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 BRD4 1103/4885CHRNB2 2080/4885CHRNA4 3219/4885

“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.