SCHEMBL25970769

SCHEMBL25970769

C[C@@H]1CN(c2cnc3c(c2)c(I)cn3C)C[C@H](C)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
PDE1B Q01064 1/20 0.40
MET P08581 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 3/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
KMT2A Q03164 1/20 0.34
LRRK2 Q5S007 3/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
HASPIN Q8TF76 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 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
SCHEMBL25970774 1.00 BRD4 (0.43) BRD4RAB9AMAPTPDE1BMET
SCHEMBL25970789 0.87 BRD4 (0.43) BRD4PDE1BHASPIN
SCHEMBL21557845 0.86 RAB9A (0.40) RAB9AMAPTPDE1BMETNPC1
SCHEMBL21557940 0.86 RAB9A (0.40) RAB9AMAPTPDE1BMETNPC1
SCHEMBL25970824 0.86 BRD4 (0.45) BRD4LRRK2HASPINMAPK1
SCHEMBL25970660 0.85 BRD4 (0.40) BRD4PDE1BMETLRRK2PIM3
SCHEMBL25970869 0.83 BRD4 (0.43) BRD4HASPINMAPK1
SCHEMBL25970672 0.78 HTR3A (0.44) BRD4MAPTMETKMT2AGAA
SCHEMBL25970628 0.78 BRD4 (0.44) BRD4MAPTMETKDM4EKMT2A
SCHEMBL21541543 0.77 BRD4 (0.46) BRD4RAB9AMAPTPDE1BHTT

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 1103/4885RAB9A 1029/4885MAPT 2651/4885

“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.