SCHEMBL21557993

SCHEMBL21557993

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

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 16/20 0.72
▸ PIK3CD O00329 4/20 0.40
▸ PIK3CB P42338 4/20 0.40
▸ PIK3CA P42336 3/20 0.40
▸ PIK3CG P48736 3/20 0.40
▸ MTOR P42345 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 0.91 MAPK1 (0.59) MAPK1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL21541558 0.91 MAPK1 (0.72) MAPK1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL25971022 0.91 MAPK1 (0.72) MAPK1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL21557656 0.90 MAPK1 (0.58) MAPK1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL21557655 0.89 MAPK1 (0.61) MAPK1
SCHEMBL21557658 0.89 MAPK1 (0.57) MAPK1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL20503904 0.88 MAPK1 (0.68) MAPK1PIK3CDPIK3CBPIK3CAPIK3CG
Phosphoric Acid SCHEMBL20504087 0.87 MAPK1 (0.67) MAPK1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL21557728 0.87 MAPK1 (0.54) MAPK1
SCHEMBL21557726 0.87 MAPK1 (0.54) MAPK1

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 2/4885PIK3CD 387/4885PIK3CB 554/4885
US-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors MAPKAPK2, MAPK1, MAPK3 MAPK1 2/4885PIK3CD 224/4885PIK3CB 326/4885
US-20210221809-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK3 MAPK1 2/4885PIK3CD 224/4885PIK3CB 326/4885
US-20200283432-A1 ZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK3 MAPK1 2/4885PIK3CD 387/4885PIK3CB 554/4885

“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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