SCHEMBL18860610

SCHEMBL18860610

N#CC1CCN(c2cnc3[nH]cc(I)c3c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.38
▸ MAPK1 P28482 5/20 0.36
▸ ATR Q13535 1/20 0.35
▸ ATRIP Q8WXE1 1/20 0.35
▸ PIM3 Q86V86 2/20 0.35
▸ PIM2 Q9P1W9 2/20 0.35
▸ METAP2 P50579 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ EGLN2 Q96KS0 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ JAK1 P23458 4/20 0.33
▸ JAK2 O60674 3/20 0.33
▸ JAK3 P52333 3/20 0.33
▸ TYK2 P29597 3/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL18892032 0.85 MAP3K12 (0.38) MAPK1ATRATRIPPIM3PIM2
SCHEMBL18860544 0.81 BRD4 (0.41) BRD4MAPK1METAP2ALDH1A1KDM4E
SCHEMBL18860555 0.80 BRD4 (0.40) BRD4MAPK1METAP2ALDH1A1KDM4E
SCHEMBL21557922 0.80 BRD4 (0.40) BRD4MAPK1METAP2ALDH1A1KDM4E
SCHEMBL25970670 0.78 IL2 (0.47) BRD4
SCHEMBL20504062 0.78 MAPK1 (0.47) BRD4MAPK1METAP2ALDH1A1CYP3A4
SCHEMBL1487564 0.78 MAP4K1 (0.47) BRD4MAPK1JAK3CYP3A4CYP1A2
SCHEMBL20504242 0.74 MAPK1 (0.49) BRD4MAPK1METAP2JAK2
SCHEMBL18860609 0.74 RIPK1 (0.43) ATRATRIPALDH1A1EGLN2KDM4E
SCHEMBL18891806 0.74 PIM3 (0.33) PIM3PIM2ALDH1A1EGLN2KDM4E

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 13 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
EP-3170822-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery (FR) 2017-05-24 — — EP disclosed
EP-3170822-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery (FR) 2017-05-24 — — 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 2264/4885MAPK1 2/4885ATR 1295/4885
US-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors MAPKAPK2, MAPK1, MAPK3 BRD4 1103/4885MAPK1 2/4885ATR 982/4885
US-20210221809-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK3 BRD4 1103/4885MAPK1 2/4885ATR 982/4885
US-20200283432-A1 ZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK3 BRD4 2264/4885MAPK1 2/4885ATR 1295/4885

“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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