SCHEMBL20939543

SCHEMBL20939543

CC(C)N1CCn2ncc(N)c2C1=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 1/20 0.33
▸ ACVRL1 P37023 1/20 0.31
▸ ACVR1 Q04771 1/20 0.31

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
SCHEMBL20939798 0.91 MAP3K14 (0.34) MAP3K14ACVRL1ACVR1
SCHEMBL20939184 0.82 MAP3K14 (0.33) MAP3K14
SCHEMBL23005491 0.78 MAP3K14 (0.33) MAP3K14
SCHEMBL20400046 0.78 NLRP3 (0.39) —
SCHEMBL22421146 0.77 MAP3K14 (0.40) MAP3K14
SCHEMBL20939715 0.77 PIK3CD (0.36) MAP3K14
Hydrochloric Acid SCHEMBL18209909 0.77 NLRP3 (0.38) —
SCHEMBL22421148 0.68 ALDH1A1 (0.33) MAP3K14
SCHEMBL23005401 0.67 MAP3K14 (0.31) MAP3K14
SCHEMBL22017463 0.67 ALDH1A1 (0.37) —

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
CN-108948019-B Focal adhesion kinase inhibitors and uses thereof 广东东阳光药业有限公司 2022-07-08 — — CN disclosed
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-30 — — US disclosed
US-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-02-04 — — US disclosed
EP-3478673-B1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-09-16 — — EP disclosed
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-04-25 — — US 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 (3 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-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS MAP3K14, NFKBIA, MAP3K15 MAP3K14 1/4885ACVRL1 2656/4885ACVR1 2355/4885
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB MAP3K14 6/4885ACVRL1 2523/4885ACVR1 2188/4885
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors MAP3K14, NFKBIA, MAP3K15 MAP3K14 1/4885ACVRL1 2656/4885ACVR1 2355/4885

“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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