SCHEMBL22822764

SCHEMBL22822764

CC(=O)N1CCN(c2ccc3c(Br)cn([C@H]4C[C@@H](N(C)C(=O)OC(C)(C)C)C4)c3n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.36
▸ AURKA O14965 1/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ MAP4K4 O95819 2/20 0.34
▸ PIK3R1 P27986 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ RET P07949 2/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.32
▸ EIF2AK4 Q9P2K8 1/20 0.31
▸ CKS1B P61024 2/20 0.31
▸ SKP1 P63208 2/20 0.31
▸ SKP2 Q13309 2/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ ALK Q9UM73 2/20 0.30
▸ NCF1 P14598 1/20 0.30
▸ PRMT5 O14744 1/20 0.30

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
SCHEMBL22801998 1.00 PDE10A (0.36) PDE10AAURKAPDPK1AURKBMAP4K4
SCHEMBL22801999 1.00 PDE10A (0.36) PDE10AAURKAPDPK1AURKBMAP4K4
SCHEMBL21285648 0.90 PDE10A (0.36) PDE10AAURKAPDPK1AURKBMAP4K4
SCHEMBL22801944 0.88 MAPT (0.38) PDE10AAURKAPDPK1AURKBPIK3R1
SCHEMBL21285657 0.88 MAPT (0.38) PDE10AAURKAPDPK1AURKBPIK3R1
SCHEMBL21285489 0.86 PDE10A (0.33) PDE10AAURKAPDPK1AURKBPIK3R1
SCHEMBL21268782 0.85 GPR119 (0.40) PDE10AHSD11B1
SCHEMBL21268784 0.85 GPR119 (0.40) PDE10AHSD11B1
SCHEMBL21274050 0.82 PIK3R1 (0.35) PDE10AAURKAPDPK1AURKBPIK3R1
SCHEMBL22801937 0.82 PIK3R1 (0.35) PDE10AAURKAPDPK1AURKBPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — 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 (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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 PDE10A 243/4885AURKA 4236/4885PDPK1 719/4885

“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.

Send feedback