SCHEMBL22907450

SCHEMBL22907450

CC(C)c1cn(C)c2cncnc12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.33
▸ NFATC1 O95644 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL13041957 0.76 DYRK1A (0.36) DYRK1ANFATC1GSK3BMEN1KMT2A
SCHEMBL19759421 0.73 KDM4E (0.33) —
SCHEMBL10212549 0.72 MAPKAPK2 (0.44) —
SCHEMBL21375598 0.71 TDP1 (0.46) GSK3BMEN1LMNAMAPTHTT
SCHEMBL29638555 0.69 RPS6KB1 (0.40) TDP1
SCHEMBL23103354 0.68 MEN1 (0.33) DYRK1ANFATC1GSK3BMEN1LMNA
SCHEMBL16019431 0.68 DYRK1A (0.56) DYRK1ANFATC1GSK3BMEN1LMNA
SCHEMBL2628318 0.68 RPS6KA5 (0.32) MAPT
SCHEMBL19759425 0.66 EGFR (0.33) —
SCHEMBL23809363 0.65 NR4A2 (0.41) DYRK1A

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-20210015915-A1 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-01-21 — — 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-20210015915-A1 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING STING1, CGAS, TBK1 DYRK1A 3348/4885NFATC1 68/4885GSK3B 3386/4885

“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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