SCHEMBL20939554

SCHEMBL20939554

CCCCCc1cc2c(cc1N)CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.49
NR1H2 P55055 1/20 0.48
DPP4 P27487 1/20 0.40
CNR2 P34972 1/20 0.40
TLR8 Q9NR97 1/20 0.40
PDE4D Q08499 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ADORA1 P30542 2/20 0.38
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37
GPR119 Q8TDV5 4/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL5445035 0.88 NR1H2 (0.54) ESR2NR1H2DPP4NPC1RAB9A
SCHEMBL20939662 0.87 ESR2 (0.48) ESR2NR1H2DPP4NPC1RAB9A
SCHEMBL20939550 0.84 NR1H2 (0.48) ESR2NR1H2DPP4NPC1RAB9A
SCHEMBL719713 0.82 NR1H2 (0.62) ESR2NR1H2NPC1RAB9AADORA1
SCHEMBL26629209 0.82 NR1H2 (0.64) ESR2NR1H2DPP4NPC1RAB9A
SCHEMBL2307613 0.77 ESR2 (0.58) ESR2NR1H2DPP4NPC1RAB9A
SCHEMBL5443139 0.77 NR1H2 (0.56) ESR2NR1H2NPC1RAB9AADORA1
SCHEMBL6365902 0.77 NR1H2 (0.51) ESR2NR1H2DPP4PDE4DNPC1
SCHEMBL20939322 0.77 DRD2 (0.39) TLR8
SCHEMBL5443089 0.77 NR1H2 (0.53) ESR2NR1H2DPP4NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ESR2 3706/4885NR1H2 681/4885DPP4 3280/4885
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB ESR2 3961/4885NR1H2 1193/4885DPP4 2278/4885
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors MAP3K14, NFKBIA, MAP3K15 ESR2 3706/4885NR1H2 681/4885DPP4 3280/4885

“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.