SCHEMBL23909724

SCHEMBL23909724

C/C=C/C(=O)N1CC2(CCN(c3nc(N4CCOCC4)nc(-c4c(C)ccc5[nH]ncc45)c3C#N)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 16/20 0.43
▸ USP30 Q70CQ3 1/20 0.35
▸ PIK3CA P42336 3/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PIK3R1 P27986 2/20 0.34

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
SCHEMBL31217014 1.00 KRAS (0.43) KRASUSP30PIK3CAMTORPIK3R1
SCHEMBL23909725 1.00 KRAS (0.43) KRASUSP30PIK3CAMTORPIK3R1
SCHEMBL31217079 0.92 KRAS (0.50) KRAS
SCHEMBL21662916 0.92 KRAS (0.50) KRAS
SCHEMBL23909812 0.91 KRAS (0.41) KRASUSP30PIK3CA
SCHEMBL31217138 0.91 KRAS (0.41) KRASUSP30PIK3CA
SCHEMBL23909815 0.91 KRAS (0.41) KRASUSP30PIK3CA
SCHEMBL21662825 0.90 KRAS (0.42) KRASUSP30PIK3CAPIK3R1
SCHEMBL23909806 0.90 KRAS (0.42) KRASUSP30PIK3CAPIK3R1
SCHEMBL31217166 0.90 KRAS (0.42) KRASUSP30PIK3CAPIK3R1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2021-10-14 — — US disclosed
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2021-10-14 — — 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-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER KRAS, NRAS, HRAS KRAS 1/4885USP30 4690/4885PIK3CA 134/4885

“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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