SCHEMBL23023563

SCHEMBL23023563

CC(C)c1ccc(N2CCOCC2C)nc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 8/20 0.43
▸ PIK3CA P42336 8/20 0.42
▸ PIK3CD O00329 2/20 0.42
▸ MTOR P42345 7/20 0.42
▸ CHEK1 O14757 6/20 0.42
▸ PDCD1 Q15116 6/20 0.42
▸ ATRIP Q8WXE1 6/20 0.42
▸ CD274 Q9NZQ7 6/20 0.42
▸ PIK3R1 P27986 6/20 0.41
▸ PIK3C3 Q8NEB9 2/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ RICTOR Q6R327 4/20 0.40
▸ RPTOR Q8N122 4/20 0.40
▸ MAPKAP1 Q9BPZ7 4/20 0.40
▸ MLST8 Q9BVC4 4/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ ACACB O00763 1/20 0.40

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
SCHEMBL8082710 0.81 ACACB (0.38) ACACB
SCHEMBL15142035 0.80 ATR (0.46) ATRPIK3CAPIK3CDMTORCHEK1
SCHEMBL15141830 0.80 ATR (0.46) ATRPIK3CAPIK3CDMTORCHEK1
SCHEMBL21588447 0.80 AKR1C3 (0.46) ATRPIK3CAPIK3CDMTORCHEK1
SCHEMBL15141832 0.80 ATR (0.46) ATRPIK3CAPIK3CDMTORCHEK1
SCHEMBL21588289 0.80 AKR1C3 (0.46) ATRPIK3CAPIK3CDMTORCHEK1
SCHEMBL21588307 0.80 AKR1C3 (0.46) ATRPIK3CAPIK3CDMTORCHEK1
SCHEMBL17693898 0.78 SMPD3 (0.42) ACACB
SCHEMBL14349206 0.78 SMPD3 (0.42) ACACB
SCHEMBL17693901 0.78 SMPD3 (0.42) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634425-B2 Pharmaceutical compounds PFIZER INC. (US) 2023-04-25 — — US disclosed
WO-2021032992-A1 PHARMACEUTICAL COMPOUNDS ReViral Limited (GB) 2021-02-25 — — 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-11634425-B2 Pharmaceutical compounds GABRA6, CHRNA6, CNR1 ATR 3033/4885PIK3CA 4834/4885PIK3CD 4789/4885

“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