SCHEMBL21662833

SCHEMBL21662833

CC#CC(=O)N1CC2(CCN(c3cncc(-c4c(C)ccc5[nH]nc(N)c45)c3C#N)C2)C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.35
▸ TEC P42680 3/20 0.32
▸ TXK P42681 3/20 0.32
▸ BMX P51813 3/20 0.32
▸ NSD2 O96028 2/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ ABL1 P00519 2/20 0.31
▸ BCR P11274 2/20 0.31
▸ KDR P35968 1/20 0.30
▸ PDE9A O76083 1/20 0.30
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30

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 1.00 BTK (0.35) BTKTECTXKBMXNSD2
SCHEMBL24089577 0.91 BTK (0.39) BTKTECTXKBMXNSD2
SCHEMBL31217029 0.88 KRAS (0.40) BTK
SCHEMBL23909761 0.88 KRAS (0.40) BTK
SCHEMBL23909843 0.86 USP30 (0.39) BTK
SCHEMBL31217076 0.86 USP30 (0.39) BTK
SCHEMBL21662830 0.80 FFAR4 (0.33) BTKTECTXKBMXNSD2
SCHEMBL31217021 0.80 FFAR4 (0.33) BTKTECTXKBMXNSD2
SCHEMBL24089358 0.79 KRAS (0.42) BTKABL1BCR
SCHEMBL24089463 0.78 BTK (0.40) BTKNSD2

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 3 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
WO-2020028706-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2020-02-06 — — WO 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 BTK 2020/4885TEC 1376/4885TXK 909/4885

“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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