SCHEMBL22967260

SCHEMBL22967260

CN1CC=C(NC(=O)COc2ccc(-c3nnc(Nc4ccc(N)c(C=N)c4)[nH]3)cc2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 16/20 0.35
▸ ADORA2A P29274 15/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ BRD2 P25440 1/20 0.35
▸ CSNK1A1 P48729 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ CSNK1E P49674 1/20 0.35
▸ CSNK1G2 P78368 1/20 0.35
▸ BRD3 Q15059 1/20 0.35
▸ CSNK1G1 Q9HCP0 1/20 0.35
▸ ADORA1 P30542 11/20 0.34
▸ ADORA3 P0DMS8 9/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MCHR1 Q99705 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL22967263 0.85 MAPT (0.32) ADORA2BADORA2AMCHR1LMNA
SCHEMBL22967237 0.80 CYP1A2 (0.43) ADORA2BADORA2AADORA1ADORA3CYP2D6
SCHEMBL22967060 0.80 ADORA2A (0.41) ADORA2BADORA2ALMNA
SCHEMBL22967056 0.80 ADORA2A (0.39) ADORA2BADORA2ALMNA
SCHEMBL22967264 0.79 LMNA (0.33) ADORA2BADORA2ALMNA
SCHEMBL24094162 0.78 CTDSP1 (0.39) KDM4ELMNANPSR1
SCHEMBL22967259 0.77 ROCK2 (0.41) ADORA2BADORA2ALMNA
SCHEMBL22967215 0.77 ROCK2 (0.41) ADORA2BADORA2ALMNA
SCHEMBL24610300 0.76 JAK2 (0.34) —
SCHEMBL24094128 0.75 PLG (0.34) CYP1A2

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-20210038606-A1 Modulators of Rho-associated Protein Kinase REDX PHARMA LIMITED (GB) 2021-02-11 — — 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-20210038606-A1 Modulators of Rho-associated Protein Kinase ROCK2, ROCK1, RHOA ADORA2B 3452/4885ADORA2A 2258/4885BRD4 1009/4885

“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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