SCHEMBL23296450

SCHEMBL23296450

CCC(=O)Cn1nc(C(N)=O)c2c1CNCC2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 1/20 0.35
▸ ADORA1 P30542 2/20 0.33
▸ CCNA2 P20248 3/20 0.33
▸ CDK2 P24941 3/20 0.33
▸ CCNA1 P78396 3/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ MAP3K14 Q99558 1/20 0.32
▸ LMNA P02545 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ F12 P00748 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
SCHEMBL31707121 0.76 MAP3K14 (0.41) GRM1CCNA2CDK2CCNA1MAP3K14
SCHEMBL31706707 0.74 MAP3K14 (0.40) GRM1CCNA2CDK2CCNA1MAP3K14
SCHEMBL38652766 0.72 CCNA2 (0.36) CCNA2CDK2CCNA1HSP90AA1HSP90AB1
SCHEMBL31707204 0.71 MAP3K14 (0.38) GRM1CCNA2CDK2CCNA1MAP3K14
SCHEMBL38654028 0.71 JAK2 (0.34) CCNA2CDK2CCNA1HSP90AA1HSP90AB1
SCHEMBL38653833 0.71 CCNA2 (0.41) CCNA2CDK2CCNA1
SCHEMBL31707167 0.70 GRM1 (0.38) GRM1CCNA2CDK2CCNA1MAP3K14
SCHEMBL30899436 0.68 CCNA2 (0.44) CCNA2CDK2CCNA1HSP90AA1HSP90AB1
SCHEMBL31707003 0.68 CCNA2 (0.49) GRM1CCNA2CDK2CCNA1MAP3K14
SCHEMBL31707198 0.67 MAP3K14 (0.37) GRM1CCNA2CDK2CCNA1HSP90AA1

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-20210130302-A1 Antiviral Pyrazolopyridinone Compounds NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC 2021-05-06 — — US claimed

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-20210130302-A1 Antiviral Pyrazolopyridinone Compounds ZC3HAV1, TYMP, ZC3HAV1L GRM1 2785/4885ADORA1 1493/4885CCNA2 1801/4885

“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.

Send feedback