SCHEMBL20504062

SCHEMBL20504062

Ic1c[nH]c2ncc(N3CCSCC3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 10/20 0.47
▸ BRD4 O60885 1/20 0.39
▸ METAP2 P50579 2/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ GMNN O75496 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ IL2 P60568 3/20 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
SCHEMBL18860544 0.87 BRD4 (0.41) MAPK1BRD4METAP2CYP1A2CYP3A4
SCHEMBL21557922 0.85 BRD4 (0.40) MAPK1BRD4METAP2CYP1A2CYP3A4
SCHEMBL18860555 0.85 BRD4 (0.40) MAPK1BRD4METAP2CYP1A2CYP3A4
SCHEMBL21557918 0.83 MAPK1 (0.45) MAPK1LRRK2CHRNB2CHRNA4IL2
SCHEMBL25970670 0.83 IL2 (0.47) BRD4IL2MAP4K1CLK1DYRK1A
SCHEMBL1487564 0.83 MAP4K1 (0.47) MAPK1BRD4CYP1A2CYP3A4CYP2D6
SCHEMBL20504119 0.79 MAPK1 (0.51) MAPK1BRD4CYP1A2CYP3A4CYP2D6
SCHEMBL15555502 0.79 METAP2 (0.41) MAPK1BRD4METAP2CYP1A2CYP3A4
SCHEMBL18860610 0.78 BRD4 (0.38) MAPK1BRD4METAP2CYP1A2CYP3A4
SCHEMBL18860557 0.78 MAPK1 (0.50) MAPK1BRD4METAP2HIF1AALDH1A1

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 11 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
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 MAPK1 2/4885BRD4 2264/4885METAP2 2211/4885
US-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors MAPKAPK2, MAPK1, MAPK3 MAPK1 2/4885BRD4 1103/4885METAP2 2152/4885
US-20210221809-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK3 MAPK1 2/4885BRD4 1103/4885METAP2 2152/4885
US-20200283432-A1 ZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK3 MAPK1 2/4885BRD4 2264/4885METAP2 2211/4885

“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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