SCHEMBL26452701

SCHEMBL26452701

CC(C)c1cn(C[C@H](O)CO)nc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 9/20 0.34
▸ JAK1 P23458 9/20 0.34
▸ TYK2 P29597 9/20 0.34
▸ JAK3 P52333 9/20 0.34
▸ CSNK2A1 P68400 1/20 0.31
▸ KHK P50053 3/20 0.31
▸ PDK2 Q15119 2/20 0.30
▸ GABRA1 P14867 1/20 0.30
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 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
SCHEMBL26452680 0.87 GABRA1 (0.31) GABRA1GABRG2GABRB3
SCHEMBL26452673 0.86 ACHE (0.31) CSNK2A1
SCHEMBL24896997 0.79 GRIA2 (0.36) JAK2JAK1TYK2JAK3
SCHEMBL22432099 0.78 LRRK2 (0.32) —
SCHEMBL26456398 0.77 GABRA1 (0.30) GABRA1GABRG2GABRB3
SCHEMBL26452714 0.73 MPO (0.46) —
SCHEMBL17755708 0.73 GRIA2 (0.30) —
SCHEMBL26452723 0.72 LRRK2 (0.42) JAK2
SCHEMBL26051307 0.72 IRAK4 (0.32) —
SCHEMBL24896994 0.71 MPO (0.47) PDK2

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 4 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-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
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 JAK2 519/4885JAK1 874/4885TYK2 1759/4885
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS F12, PM20D2, XDH JAK2 720/4885JAK1 890/4885TYK2 1683/4885

“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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