SCHEMBL22718643

SCHEMBL22718643

CCOC(=O)c1[nH]nc2c1CC(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.39
AURKA O14965 1/20 0.39
MAPK10 P53779 1/20 0.39
RIPK1 Q13546 1/20 0.39
HSD17B10 Q99714 1/20 0.37
IGF1R P08069 1/20 0.35
PDE4D Q08499 1/20 0.33
CDK2 P24941 1/20 0.33
FLT3 P36888 1/20 0.33
CCNA1 P78396 1/20 0.33
LIMK1 P53667 1/20 0.33
BRD4 O60885 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL19140474 0.80 KDM4E (0.45) AURKAMAPK10RIPK1HSD17B10PDE4D
SCHEMBL29515403 0.80 SMN1; SMN2 (0.39) AURKAMAPK10RIPK1HSD17B10IGF1R
SCHEMBL22718128 0.79 HSD17B10 (0.37) AURKAMAPK10RIPK1HSD17B10IGF1R
SCHEMBL22029691 0.74 ADORA1 (0.51) AURKAMAPK10RIPK1HSD17B10KMT2A
SCHEMBL22344793 0.73 AURKA (0.47) AURKAMAPK10RIPK1HSD17B10PDE4D
SCHEMBL17927711 0.73 BRD4 (0.50) AURKAMAPK10RIPK1HSD17B10PDE4D
SCHEMBL17338741 0.72 PDK1 (0.46) PDK1IGF1RCDK2FLT3CCNA1
SCHEMBL1808383 0.72 AURKA (0.44) AURKAMAPK10RIPK1HSD17B10PDE4D
SCHEMBL9148813 0.72 AURKA (0.46) AURKAMAPK10RIPK1HSD17B10PDE4D
SCHEMBL13070458 0.71 ADORA1 (0.53) AURKAMAPK10RIPK1HSD17B10KMT2A

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-20220242879-A1 FUSED HETEROCYCLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2022-08-04 US disclosed
EP-3976620-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-04-06 EP disclosed
CN-113906030-A Fused heterocyclic derivatives 爱尔兰詹森科学公司 2022-01-07 CN disclosed
WO-2020243153-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-03 WO 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 (1 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-20220242879-A1 FUSED HETEROCYCLE DERIVATIVES HAVCR2, HCCS, CYP3A4 PDK1 164/4885AURKA 638/4885MAPK10 2916/4885

“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.