SCHEMBL20503980

SCHEMBL20503980

c1cc2cc(N3CC4(COC4)C3)cnc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.40
▸ OPRL1 P41146 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ AXL P30530 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ PIK3CA P42336 3/20 0.39
▸ PIK3CD O00329 2/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ METAP2 P50579 2/20 0.39
▸ RIPK1 Q13546 2/20 0.38
▸ PLK4 O00444 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ ROS1 P08922 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ FLT1 P17948 1/20 0.37

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
SCHEMBL21557975 0.83 OPRM1 (0.37) OPRM1OPRL1AXLCDK8PIK3CA
SCHEMBL20504109 0.81 OPRM1 (0.40) OPRM1OPRL1MAPK1AXLCDK8
SCHEMBL856151 0.78 PIK3CA (0.51) AXLCDK8PIK3CAPIK3CDPIK3CB
SCHEMBL18860575 0.76 KDM4E (0.48) OPRM1OPRL1MAPK1AXLCDK8
SCHEMBL20503943 0.75 SLC6A2 (0.41) OPRM1OPRL1MAPK1AXLCDK8
SCHEMBL20503942 0.75 SLC6A2 (0.41) OPRM1OPRL1MAPK1AXLCDK8
SCHEMBL18860531 0.75 KDM4E (0.47) OPRM1OPRL1AXLCDK8PIK3CA
SCHEMBL20504089 0.74 PIK3CA (0.48) MAPK1AXLCDK8PIK3CAPIK3CD
SCHEMBL20504127 0.73 SLC6A2 (0.42) OPRM1OPRL1MAPK1AXLCDK8
SCHEMBL21557872 0.73 MAPK1 (0.47) MAPK1METLRRK2

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 OPRM1 756/4885OPRL1 1354/4885MAPK1 2/4885
US-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors MAPKAPK2, MAPK1, MAPK3 OPRM1 1548/4885OPRL1 2430/4885MAPK1 2/4885
US-20210221809-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK3 OPRM1 1548/4885OPRL1 2430/4885MAPK1 2/4885
US-20200283432-A1 ZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK3 OPRM1 756/4885OPRL1 1354/4885MAPK1 2/4885

“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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