SCHEMBL31234341

SCHEMBL31234341

O=C(C1CC1)N1CCC(Oc2cccc(N3CC(F)C3)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.42
▸ PIK3CD O00329 14/20 0.40
▸ ACACB O00763 2/20 0.40
▸ PIK3R1 P27986 2/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ PIK3CA P42336 3/20 0.39
▸ NAMPT P43490 2/20 0.39
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 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
SCHEMBL31234361 0.77 PIK3CA (0.46) PIK3CDPIK3CANAMPTPIK3CBPIK3CG
SCHEMBL17869133 0.69 ACSL1 (0.43) ACACBHRH3
SCHEMBL17869135 0.69 ACSL1 (0.43) ACACBHRH3
SCHEMBL31234399 0.69 PIK3CD (0.42) PIK3CDPIK3R1PIK3CANAMPTPIK3CB
SCHEMBL31234598 0.69 PIK3CD (0.41) PIK3CDPIK3R1PIK3CANAMPTPIK3CB
SCHEMBL20137809 0.69 BTK (0.47) BTKPIK3CDACACBHRH3PIK3CA
SCHEMBL20137808 0.69 BTK (0.47) BTKPIK3CDACACBHRH3PIK3CA
SCHEMBL20137745 0.68 HCRTR1 (0.47) BTKPIK3CDACACB
SCHEMBL20137746 0.68 HCRTR1 (0.47) BTKPIK3CDACACB
SCHEMBL21802698 0.67 MEN1 (0.44) ACACBHRH3

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 BTK 3063/4885PIK3CD 121/4885ACACB 1992/4885

“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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