SCHEMBL22967264

SCHEMBL22967264

N=Cc1cc(Nc2nnc(-c3ccc(OCC(=O)NC4COC4)cc3)[nH]2)ccc1N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.33
▸ ATF4 P18848 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ SLC2A1 P11166 3/20 0.32
▸ SLC2A3 P11169 3/20 0.32
▸ ADORA2A P29274 2/20 0.32
▸ ADORA2B P29275 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ROCK2 O75116 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ KLK1 P06870 1/20 0.31
▸ KLK5 Q9Y337 1/20 0.31
▸ HDAC3 O15379 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
SCHEMBL22967060 0.91 ADORA2A (0.41) LMNAKMT2AMEN1POLBADORA2A
SCHEMBL22967056 0.91 ADORA2A (0.39) LMNAATF4KMT2AMEN1ADORA2A
SCHEMBL22967259 0.88 ROCK2 (0.41) LMNAATF4ADORA2AADORA2BHPGD
SCHEMBL22967215 0.88 ROCK2 (0.41) LMNAATF4ADORA2AADORA2BHPGD
SCHEMBL22967263 0.84 MAPT (0.32) LMNAKMT2APOLBMAPTADORA2A
SCHEMBL22967237 0.81 CYP1A2 (0.43) MAPTADORA2AADORA2BHPGDROCK2
SCHEMBL22966753 0.80 ROCK2 (0.50) KMT2AMEN1POLBSLC2A1SLC2A3
SCHEMBL22967055 0.79 CDK4 (0.45) LMNAKMT2AMEN1POLBMAPT
SCHEMBL22967260 0.79 ADORA2B (0.35) LMNAADORA2AADORA2B
SCHEMBL24094162 0.79 CTDSP1 (0.39) LMNAKMT2AMEN1MAPTHPGD

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 LMNA 3657/4885ATF4 1161/4885KMT2A 2192/4885

“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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