SCHEMBL20504147

SCHEMBL20504147

O=c1cc(B(O)O)ccn1Cc1ccc(I)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.38
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ADORA2A P29274 1/20 0.34
ENPP2 Q13822 2/20 0.34
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33
HTR2C P28335 1/20 0.32
ALDH1A1 P00352 1/20 0.32
VEGFA P15692 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP2D6 P10635 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL20503866 0.86 VEGFA (0.45) MAPK14ENPP2TP53MAPTALDH1A1
SCHEMBL20504094 0.86 MAPK14 (0.35) MAPK14ADORA2AMAPTALDH1A1VEGFA
SCHEMBL18860611 0.85 CNR1 (0.41) MAPK14CNR1CNR2ADORA2AENPP2
SCHEMBL21557721 0.85 MAPT (0.51) MAPK14ADORA2ATP53MAPTALDH1A1
SCHEMBL18860533 0.85 CA1 (0.40) MAPK14CNR2ADORA2AHDAC6SMN1; SMN2
SCHEMBL20504030 0.85 MAPK1 (0.35) MAPK14ENPP2MAPTALDH1A1MAPK1
SCHEMBL18860556 0.84 MAPK14 (0.54) MAPK14ADORA2AENPP2TP53MAPT
SCHEMBL20504064 0.83 ENPP2 (0.34) MAPK14ADORA2AENPP2MAPTALDH1A1
SCHEMBL18860580 0.82 DBH (0.43) MAPTALDH1A1MAPK1KDM4ECYP2D6
SCHEMBL20503899 0.82 ENPP2 (0.33) MAPK14ENPP2MAPTALDH1A1MAPK1

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 12 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-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
EP-3377491-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery (FR) 2018-09-26 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 MAPK14 9/4885CNR1 1642/4885CNR2 1554/4885
US-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors MAPKAPK2, MAPK1, MAPK3 MAPK14 8/4885CNR1 1763/4885CNR2 1524/4885
US-20210221809-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK3 MAPK14 8/4885CNR1 1763/4885CNR2 1524/4885
US-20200283432-A1 ZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK3 MAPK14 9/4885CNR1 1642/4885CNR2 1554/4885

“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.