SCHEMBL21557658

SCHEMBL21557658

O=c1cc(-c2cn(S)c3ncc(N4CCOCC4)cc23)ccn1Cc1cccc(Br)c1F

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 18/20 0.57
▸ STAT6 P42226 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36

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
SCHEMBL21558019 0.93 MAPK1 (0.59) MAPK1STAT6PIK3CDPIK3CAPIK3CB
SCHEMBL21557656 0.91 MAPK1 (0.58) MAPK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21557655 0.91 MAPK1 (0.61) MAPK1
SCHEMBL25970921 0.91 MAPK1 (0.57) MAPK1
SCHEMBL21541557 0.91 MAPK1 (0.57) MAPK1
SCHEMBL21557993 0.89 MAPK1 (0.72) MAPK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21557728 0.88 MAPK1 (0.54) MAPK1
SCHEMBL21557726 0.88 MAPK1 (0.54) MAPK1
SCHEMBL20503906 0.87 MAPK1 (0.54) MAPK1
SCHEMBL21557718 0.86 MAPK1 (0.70) MAPK1PIK3CDPIK3CAPIK3CBPIK3CG

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 5 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

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 MAPK1 2/4885STAT6 527/4885PIK3CD 387/4885
US-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors MAPKAPK2, MAPK1, MAPK3 MAPK1 2/4885STAT6 697/4885PIK3CD 224/4885
US-20210221809-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK3 MAPK1 2/4885STAT6 697/4885PIK3CD 224/4885
US-20200283432-A1 ZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK3 MAPK1 2/4885STAT6 527/4885PIK3CD 387/4885

“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.

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