SCHEMBL31234598

SCHEMBL31234598

O=C(C1CC1)N1CCC(Oc2ccn(C(F)F)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 11/20 0.41
▸ PIK3CA P42336 8/20 0.41
▸ NAMPT P43490 7/20 0.41
▸ PIK3CB P42338 4/20 0.40
▸ PIK3CG P48736 4/20 0.40
▸ KRAS P01116 1/20 0.38
▸ SOS1 Q07889 1/20 0.38
▸ PIK3R1 P27986 1/20 0.37

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
SCHEMBL31234399 0.81 PIK3CD (0.42) PIK3CDPIK3CANAMPTPIK3CBPIK3CG
SCHEMBL31234430 0.77 NAMPT (0.44) PIK3CDPIK3CANAMPTPIK3CBPIK3CG
SCHEMBL31234352 0.74 NAMPT (0.43) PIK3CDPIK3CANAMPTPIK3CBPIK3CG
SCHEMBL31234341 0.69 BTK (0.42) PIK3CDPIK3CANAMPTPIK3CBPIK3CG
SCHEMBL31234220 0.68 ACACB (0.44) PIK3CDPIK3CANAMPTPIK3CBPIK3CG
SCHEMBL31234741 0.68 NAMPT (0.44) PIK3CDPIK3CANAMPTPIK3CBPIK3CG
SCHEMBL31234493 0.67 NAMPT (0.50) PIK3CDPIK3CANAMPTPIK3CBPIK3CG
SCHEMBL31234281 0.67 PIK3CD (0.46) PIK3CDPIK3CANAMPTPIK3CBPIK3CG
SCHEMBL17456006 0.64 NAMPT (0.46) PIK3CDPIK3CANAMPTPIK3CBPIK3CG
SCHEMBL12521650 0.64 NPC1 (0.47) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1

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 PIK3CD 121/4885PIK3CA 40/4885NAMPT 2617/4885

“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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