Sugi Predict

Sugi Predict / Compounds / SCHEMBL24253757

SCHEMBL24253757

SCHEMBL24253757

Nc1nc(F)cc(N[C@@H]2CCOC2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 3/20 0.42
▸ PIK3CA P42336 2/20 0.39
▸ BACE1 P56817 2/20 0.39
▸ BACE2 Q9Y5Z0 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HRH4 Q9H3N8 2/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ CTSK P43235 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ MKNK1 Q9BUB5 2/20 0.33
▸ MKNK2 Q9HBH9 2/20 0.33
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ PDE1C Q14123 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33

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
SCHEMBL30423239 1.00 NUDT1 (0.42) NUDT1PIK3CABACE1BACE2SMN1; SMN2
SCHEMBL29047990 1.00 NUDT1 (0.42) NUDT1PIK3CABACE1BACE2SMN1; SMN2
SCHEMBL30424176 0.82 OPRK1 (0.46) NUDT1PIK3CASMN1; SMN2HRH4OPRK1
SCHEMBL29047997 0.82 OPRK1 (0.46) NUDT1PIK3CASMN1; SMN2HRH4OPRK1
SCHEMBL24253756 0.82 OPRK1 (0.46) NUDT1PIK3CASMN1; SMN2HRH4OPRK1
SCHEMBL3727913 0.82 NUDT1 (0.46) NUDT1PIK3CABACE1BACE2HRH4
SCHEMBL3199851 0.73 OPRK1 (0.51) NUDT1PIK3CASMN1; SMN2HRH4OPRK1
SCHEMBL6235685 0.73 CTSK (0.43) HRH4CTSKMKNK1MKNK2
SCHEMBL15756954 0.72 NUDT1 (0.77) NUDT1PIK3CAPDE1APDE1B
SCHEMBL18284684 0.70 MKNK1 (0.39) BACE1BACE2CTSKMKNK1MKNK2

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-11708366-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof NOVARTIS AG (CH) 2023-07-25 — — US disclosed
US-11708366-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof NOVARTIS AG (CH) 2023-07-25 — — US disclosed
CN-116157404-A Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof 诺华股份有限公司 2023-05-23 — — CN disclosed
US-20220048909-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-02-17 — — 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 (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-11708366-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof REN, NR3C2, PKD1 NUDT1 1739/4885PIK3CA 998/4885BACE1 3187/4885
US-20220048909-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF REN, NR3C2, PKD1 NUDT1 1739/4885PIK3CA 998/4885BACE1 3187/4885

“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.