SCHEMBL24089577

SCHEMBL24089577

CC#CC(=O)N1CC2(CCN(c3cccc(-c4c(C)ccc5[nH]nc(N)c45)c3C#N)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.39
▸ NSD2 O96028 2/20 0.36
▸ ABL1 P00519 9/20 0.36
▸ BCR P11274 9/20 0.36
▸ TEC P42680 4/20 0.35
▸ TXK P42681 4/20 0.35
▸ BMX P51813 4/20 0.35
▸ KDR P35968 1/20 0.33

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
SCHEMBL31217102 0.91 BTK (0.35) BTKNSD2ABL1BCRTEC
SCHEMBL21662833 0.91 BTK (0.35) BTKNSD2ABL1BCRTEC
SCHEMBL24089358 0.88 KRAS (0.42) BTKABL1BCR
SCHEMBL24089463 0.85 BTK (0.40) BTKNSD2
SCHEMBL24089590 0.79 NSD2 (0.37) BTKNSD2TECTXKBMX
SCHEMBL31217029 0.79 KRAS (0.40) BTK
SCHEMBL23909761 0.79 KRAS (0.40) BTK
SCHEMBL31217076 0.77 USP30 (0.39) BTK
SCHEMBL23909843 0.77 USP30 (0.39) BTK
SCHEMBL24089466 0.76 BTK (0.42) BTKNSD2TECTXKBMX

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-20210380595-A1 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS ARAXES PHARMA LLC (US) 2021-12-09 — — 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-20210380595-A1 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS KRAS, NRAS, G3BP2 BTK 2698/4885NSD2 2453/4885ABL1 650/4885

“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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