SCHEMBL20504010

SCHEMBL20504010

Cc1ccc(S(=O)(=O)n2cc(I)c3cc(N4C[C@H]5COC[C@H]5C4)cnc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.46
PTPN11 Q06124 1/20 0.41
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 2/20 0.34
ALDH3A1 P30838 1/20 0.34
HTT P42858 1/20 0.34
NOD1 Q9Y239 1/20 0.34
HTR6 P50406 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 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
SCHEMBL20504009 1.00 BRD4 (0.46) BRD4PTPN11GAASMN1; SMN2PKM
SCHEMBL20503932 0.87 BRD4 (0.46) BRD4PTPN11GAAKMT2AL3MBTL1
SCHEMBL20504098 0.87 BRD4 (0.46) BRD4PTPN11GAASMN1; SMN2PKM
SCHEMBL21541543 0.87 BRD4 (0.46) BRD4PTPN11GAAKMT2AL3MBTL1
SCHEMBL20503930 0.87 BRD4 (0.46) BRD4PTPN11GAAKMT2AL3MBTL1
SCHEMBL20504059 0.86 BRD4 (0.48) BRD4PTPN11GAASMN1; SMN2MEN1
SCHEMBL18891807 0.85 BRD4 (0.48) BRD4PTPN11GAASMN1; SMN2MEN1
SCHEMBL17939332 0.84 BRD4 (0.44) BRD4PTPN11MEN1KMT2AL3MBTL1
SCHEMBL20503862 0.84 BRD4 (0.48) BRD4PTPN11GAASMN1; SMN2PKM
SCHEMBL18860592 0.83 BRD4 (0.48) BRD4PTPN11SMN1; SMN2PKMMEN1

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 6 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-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-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-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 BRD4 2264/4885PTPN11 1007/4885GAA 1481/4885
US-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors MAPKAPK2, MAPK1, MAPK3 BRD4 1103/4885PTPN11 508/4885GAA 2344/4885
US-20210221809-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK3 BRD4 1103/4885PTPN11 508/4885GAA 2344/4885
US-20200283432-A1 ZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK3 BRD4 2264/4885PTPN11 1007/4885GAA 1481/4885

“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.