SCHEMBL26452854

SCHEMBL26452854

Cc1nn(CC2CCOCC2)cc1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.35
▸ BAZ2A Q9UIF9 2/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ HTR4 Q13639 7/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ DYRK3 O43781 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ CSNK1G2 P78368 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ ROCK1 Q13464 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
SCHEMBL25590509 0.84 CNR2 (0.34) BRD4BAZ2ACYP11B2HTR4CDK2
SCHEMBL21964529 0.79 CTSD (0.38) BRD4BAZ2ACYP11B2CDK2CDC7
SCHEMBL22474446 0.75 LRRK2 (0.43) MAPK1AURKBJAK2JAK1TYK2
SCHEMBL21960361 0.74 ALDH1A1 (0.36) BRD4BAZ2ACYP11B2CNR2CTSD
SCHEMBL30106881 0.74 P2RX7 (0.35) BRD4JAK2JAK1TYK2JAK3
SCHEMBL12089893 0.73 JAK2 (0.43) HTR4CDK2CDC7DAPK3DYRK3
SCHEMBL26067016 0.72 LRRK2 (0.40) —
SCHEMBL25581842 0.72 DHODH (0.34) AURKB
SCHEMBL22252588 0.72 HTR4 (0.40) HTR4CDK2KCNH2CDC7DAPK3
SCHEMBL19645445 0.71 KDM5B (0.34) AURKB

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-11858912-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-01-02 — — US disclosed
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2023-05-04 — — 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 (2 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-11858912-B2 Heterocyclic compounds F12, C1R, MRPL21 BRD4 621/4885BAZ2A 3047/4885CYP11B2 431/4885
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS F12, PM20D2, XDH BRD4 717/4885BAZ2A 2900/4885CYP11B2 610/4885

“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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