SCHEMBL21541546

SCHEMBL21541546

C[C@@H]1CN(c2cnc3[nH]cc(I)c3c2)C[C@@H](C)O1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 4/20 0.37
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE1B Q01064 1/20 0.36
SYK P43405 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
LRRK2 Q5S007 3/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
METAP2 P50579 2/20 0.34
NTRK1 P04629 2/20 0.33
WNT3A P56704 1/20 0.33

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
SCHEMBL20504100 1.00 BRD4 (0.41) BRD4MAPTRAB9AMAPK1KMT2A
SCHEMBL20504101 1.00 BRD4 (0.41) BRD4MAPTRAB9AMAPK1KMT2A
SCHEMBL28513431 0.86 MAP4K1 (0.48) BRD4MAPTRAB9ASYKLRRK2
SCHEMBL28905253 0.86 MAP4K1 (0.48) BRD4MAPTRAB9ASYKLRRK2
SCHEMBL20504001 0.85 MAPK1 (0.43) BRD4MAPK1SYKLRRK2METAP2
SCHEMBL21557995 0.85 MAPT (0.41) MAPTRAB9AMAPK1PDE1BKDM4E
SCHEMBL21558002 0.85 MAPT (0.41) MAPTRAB9AMAPK1PDE1BKDM4E
SCHEMBL18860578 0.85 LRRK2 (0.44) BRD4LRRK2PIM3PIM2
SCHEMBL20504242 0.84 MAPK1 (0.49) BRD4MAPK1SYKLRRK2METAP2
SCHEMBL23667792 0.82 MAPK1 (0.49) BRD4MAPK1LRRK2METAP2

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 10 patents. 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
US-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors AGV DISCOVERY (FR) 2023-07-25 US disclosed
US-20210221809-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery ENSCM (FR) 2021-07-22 US disclosed
US-20210221809-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery ENSCM (FR) 2021-07-22 US disclosed
US-10995089-B2 Zaindole derivatives and their use as ERK kinase inhibitors AGV DISCOVERY (FR) 2021-05-04 US disclosed
US-10995089-B2 Zaindole derivatives and their use as ERK kinase inhibitors AGV DISCOVERY (FR) 2021-05-04 US disclosed
US-20200283432-A1 ZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery ENSCM (FR) 2020-09-10 US disclosed
US-20200283432-A1 ZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery ENSCM (FR) 2020-09-10 US disclosed
EP-3377491-B1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV DISCOVERY (FR) 2019-11-13 EP disclosed
EP-3377491-B1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV DISCOVERY (FR) 2019-11-13 EP 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 (4 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-10995089-B2 Zaindole derivatives and their use as ERK kinase inhibitors MAPKAPK2, MAPK1, MAPK3 BRD4 2264/4885MAPT 2456/4885RAB9A 852/4885
US-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors MAPKAPK2, MAPK1, MAPK3 BRD4 1103/4885MAPT 2651/4885RAB9A 1029/4885
US-20210221809-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK3 BRD4 1103/4885MAPT 2651/4885RAB9A 1029/4885
US-20200283432-A1 ZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK3 BRD4 2264/4885MAPT 2456/4885RAB9A 852/4885

“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.