SCHEMBL31234220

SCHEMBL31234220

O=C(C1CC1)N1CCC(Oc2cnn(CC(F)F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.44
▸ PIK3CD O00329 10/20 0.43
▸ PIK3CA P42336 5/20 0.43
▸ PIK3CB P42338 4/20 0.43
▸ PIK3CG P48736 4/20 0.43
▸ NAMPT P43490 6/20 0.42
▸ PIK3R1 P27986 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ JAK3 P52333 1/20 0.38
▸ BTK Q06187 1/20 0.38

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
SCHEMBL31234430 0.83 NAMPT (0.44) ACACBPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL31234733 0.82 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CGNAMPT
SCHEMBL31234264 0.79 NAMPT (0.44) PIK3CDPIK3CAPIK3CBPIK3CGNAMPT
SCHEMBL27228926 0.75 HMOX1 (0.35) ACACBNAMPTMAPT
SCHEMBL31656683 0.73 SLC6A2 (0.36) ACACB
SCHEMBL21193560 0.71 GRIN1 (0.47) NAMPT
SCHEMBL31234352 0.71 NAMPT (0.43) PIK3CDPIK3CAPIK3CBPIK3CGNAMPT
SCHEMBL27115842 0.69 BTK (0.42) ACACBPIK3CDPIK3CANAMPTJAK3
SCHEMBL26988825 0.69 BTK (0.42) ACACBPIK3CDPIK3CANAMPTJAK3
SCHEMBL26907230 0.69 BTK (0.42) ACACBPIK3CDPIK3CANAMPTJAK3

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-20240390340-A1 PYRROLIDINE KRAS INHIBITORS INCYTE CORP (US) 2024-11-28 — — 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-20240390340-A1 PYRROLIDINE KRAS INHIBITORS KRAS, NRAS, HRAS ACACB 1992/4885PIK3CD 121/4885PIK3CA 40/4885

“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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