SCHEMBL20117140

SCHEMBL20117140

CC(C)(C)OC(=O)N1CCN(c2noc(-c3ccnc(N4CCOCC4)c3)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.51
USP30 Q70CQ3 1/20 0.51
TBK1 Q9UHD2 2/20 0.50
LRRK2 Q5S007 1/20 0.45
CKS1B P61024 2/20 0.45
SKP1 P63208 2/20 0.45
SKP2 Q13309 2/20 0.45
ACHE P22303 1/20 0.44
MTOR P42345 2/20 0.43
GPR119 Q8TDV5 3/20 0.42
MAP4K4 O95819 1/20 0.41
SMO Q99835 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL20117170 0.85 ACHE (0.46) PIK3CAUSP30TBK1CKS1BSKP1
SCHEMBL20116978 0.82 ACHE (0.47) PIK3CAUSP30TBK1CKS1BSKP1
SCHEMBL20116315 0.81 TBK1 (0.49) PIK3CAUSP30TBK1CKS1BSKP1
SCHEMBL20676652 0.81 USP30 (0.43) PIK3CAUSP30TBK1ACHEGPR119
SCHEMBL20676316 0.80 USP30 (0.42) PIK3CAUSP30TBK1ACHEGPR119
SCHEMBL387529 0.79 CKS1B (0.56) PIK3CACKS1BSKP1SKP2ACHE
SCHEMBL30818961 0.77 CKS1B (0.53) PIK3CACKS1BSKP1SKP2ACHE
SCHEMBL391852 0.77 GBA1 (0.57) PIK3CACKS1BSKP1SKP2ACHE
SCHEMBL3443191 0.76 CKS1B (0.64) PIK3CAUSP30LRRK2CKS1BSKP1
SCHEMBL20116528 0.75 USP30 (0.43) PIK3CAUSP30TBK1CKS1BSKP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 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 (2 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 PIK3CA 3734/4885USP30 3526/4885TBK1 3534/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 PIK3CA 3734/4885USP30 3526/4885TBK1 3534/4885

“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.