SCHEMBL24620454

SCHEMBL24620454

CC(C)c1ccnc(C2(C)CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.34
▸ HTR3A P46098 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ SORD Q00796 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
SCHEMBL26141099 0.84 HTR3A (0.33) CHRNA7HTR3A
SCHEMBL26141058 0.80 IDH1 (0.33) CHRNA7HTR3A
SCHEMBL13782273 0.75 ALOX15 (0.33) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL22545193 0.70 CYP1A2 (0.41) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL24620396 0.70 SYK (0.34) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15888817 0.68 HDAC8 (0.30) —
SCHEMBL10274928 0.68 CHRNA7 (0.47) CHRNA7HTR3ASORD
SCHEMBL20892195 0.68 CHRNA7 (0.35) CHRNA7
SCHEMBL1106508 0.67 HRH4 (0.38) CHRNA7HTR3ASORD
SCHEMBL807734 0.67 GRM4 (0.37) CHRNA7HTR3ASORD

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-20220220115-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-07-14 — — 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-20220220115-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 CHRNA7 4881/4885HTR3A 4004/4885PIK3CD 1284/4885

“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.

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