SCHEMBL21362878

SCHEMBL21362878

CC(C)c1ncnn2nccc12

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.33
▸ CCNK O75909 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCNC P24863 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CDK19 Q9BWU1 1/20 0.32
▸ DYRK1A Q13627 2/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31

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
SCHEMBL25678461 0.74 CCR1 (0.33) DYRK1A
SCHEMBL12125322 0.71 DYRK1A (0.31) DYRK1A
SCHEMBL402254 0.69 MAP4K4 (0.47) MAP4K4DYRK1A
SCHEMBL1154966 0.69 — —
SCHEMBL12405880 0.69 MAP4K4 (0.60) MAP4K4
SCHEMBL15760228 0.69 MAP4K4 (0.40) MAP4K4DYRK1A
SCHEMBL12125310 0.69 — —
SCHEMBL12395329 0.69 — —
SCHEMBL12395129 0.68 EGFR (0.41) MAP4K4
SCHEMBL25583460 0.68 DYRK1A (0.36) CCNKCDK4CCNCCDK2CDK8

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-20210023234-A1 ECTONUCLEOTIDE PYROPHOSPHATE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ABBVIE INC (US) 2021-01-28 — — US disclosed
US-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ABBVIE INC. 2019-09-19 — — 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-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ENPP1, ENPP3, ENPEP MAP4K4 2955/4885CCNK 4306/4885CDK4 3635/4885
US-20210023234-A1 ECTONUCLEOTIDE PYROPHOSPHATE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ENPP1, ENPP3, PNKP MAP4K4 2868/4885CCNK 4192/4885CDK4 3073/4885

“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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