SCHEMBL31234264

SCHEMBL31234264

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 6/20 0.44
▸ PIK3CD O00329 11/20 0.43
▸ PIK3CA P42336 8/20 0.43
▸ PIK3CB P42338 4/20 0.43
▸ PIK3CG P48736 4/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PIK3R1 P27986 1/20 0.39
▸ BRD4 O60885 1/20 0.39

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 0.81 NAMPT (0.44) NAMPTPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL31234220 0.79 ACACB (0.44) NAMPTPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL31234399 0.77 PIK3CD (0.42) NAMPTPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL31234281 0.75 PIK3CD (0.46) NAMPTPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL31234733 0.74 PIK3CD (0.42) NAMPTPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL26907230 0.70 BTK (0.42) NAMPTPIK3CDPIK3CA
SCHEMBL27115842 0.70 BTK (0.42) NAMPTPIK3CDPIK3CA
SCHEMBL26988825 0.70 BTK (0.42) NAMPTPIK3CDPIK3CA
SCHEMBL31234493 0.70 NAMPT (0.50) NAMPTPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30722716 0.68 PIK3CD (0.53) PIK3CD

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 NAMPT 2617/4885PIK3CD 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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