SCHEMBL21140886

SCHEMBL21140886

C=Cc1cncnc1N(C=C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35

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
SCHEMBL19412772 0.81 JAK2 (0.40) JAK2JAK1TYK2
SCHEMBL9915284 0.65 KDM4E (0.31) —
SCHEMBL27947164 0.62 — —
SCHEMBL23507843 0.62 CYP3A4 (0.42) —
SCHEMBL32677379 0.62 EGFR (0.37) —
SCHEMBL29071990 0.62 EGFR (0.37) —
SCHEMBL18944640 0.61 — —
SCHEMBL27816752 0.60 NPSR1 (0.39) —
SCHEMBL26315547 0.60 — —
SCHEMBL24893853 0.58 PDPK1 (0.32) —

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-20190185508-A1 DEUTERATED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-06-20 — — 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-20190185508-A1 DEUTERATED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DUT, DIMT1, POLRMT JAK2 4021/4885JAK1 3184/4885TYK2 3279/4885

“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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