SCHEMBL31234741

SCHEMBL31234741

Nc1ncccc1O[C@H]1CCN(C(=O)C2CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 6/20 0.44
▸ ELANE P08246 1/20 0.43
▸ PIK3CD O00329 7/20 0.43
▸ PIK3CA P42336 6/20 0.43
▸ PIK3CB P42338 3/20 0.43
▸ PIK3CG P48736 3/20 0.43
▸ RBP4 P02753 1/20 0.42
▸ KRAS P01116 1/20 0.42
▸ SOS1 Q07889 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ BTK Q06187 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
SCHEMBL17456006 0.81 NAMPT (0.46) NAMPTPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL31234664 0.79 PIK3CD (0.48) PIK3CD
SCHEMBL30541545 0.78 NOS3 (0.48) —
SCHEMBL23736440 0.76 SMN1; SMN2 (0.44) RBP4KMT2A
SCHEMBL14335162 0.76 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL31234493 0.75 NAMPT (0.50) NAMPTPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17456064 0.74 RBP4 (0.47) NAMPTRBP4
SCHEMBL31309223 0.73 LTA4H (0.47) —
SCHEMBL14335160 0.72 PIK3CD (0.47) PIK3CDPIK3CA
SCHEMBL31234290 0.71 PIK3CA (0.43) NAMPTPIK3CDPIK3CAPIK3CBPIK3CG

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 2617/4885ELANE 1953/4885PIK3CD 121/4885

“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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