SCHEMBL23909788

SCHEMBL23909788

C=CC(=O)N1CC2(CCN(c3nc(N4CCOCC4)nc(-c4cccc5[nH]ncc45)c3C#N)C2)C1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 18/20 0.45
▸ MTOR P42345 2/20 0.45
▸ PIK3CD O00329 5/20 0.45
▸ PIK3R1 P27986 2/20 0.40
▸ KRAS P01116 2/20 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
SCHEMBL31217104 1.00 PIK3CA (0.45) PIK3CAMTORPIK3CDPIK3R1KRAS
SCHEMBL31217127 0.88 PIK3CA (0.38) PIK3CAPIK3CDPIK3R1
SCHEMBL23909775 0.88 PIK3CA (0.38) PIK3CAPIK3CDPIK3R1
SCHEMBL21662916 0.87 KRAS (0.50) KRAS
SCHEMBL31217079 0.87 KRAS (0.50) KRAS
SCHEMBL21662774 0.84 KRAS (0.52) KRAS
SCHEMBL31217096 0.84 KRAS (0.54) KRAS
SCHEMBL23909739 0.84 KRAS (0.54) KRAS
SCHEMBL23909751 0.81 KRAS (0.40) PIK3CAMTORPIK3CDKRAS
SCHEMBL31217209 0.81 KRAS (0.40) PIK3CAMTORPIK3CDKRAS

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 PIK3CA 134/4885MTOR 303/4885PIK3CD 1184/4885

“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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