SCHEMBL22967215

SCHEMBL22967215

N=Cc1cc(Nc2nnc(-c3ccc(OCC(=O)NC4CCNC4)cc3)[nH]2)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.41
▸ ROCK1 Q13464 2/20 0.41
▸ QPCT Q16769 1/20 0.35
▸ CHEK2 O96017 4/20 0.34
▸ SUV39H1 O43463 1/20 0.33
▸ PRMT1 Q99873 1/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ATF4 P18848 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ MET P08581 1/20 0.32
▸ PDE3B Q13370 3/20 0.32
▸ PDE3A Q14432 3/20 0.32
▸ P2RY12 Q9H244 3/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL22967259 1.00 ROCK2 (0.41) ROCK2ROCK1QPCTCHEK2SUV39H1
SCHEMBL22967056 0.91 ADORA2A (0.39) ROCK2ROCK1LMNAATF4ADORA2A
SCHEMBL22967060 0.91 ADORA2A (0.41) LMNAADORA2AADORA2BPDE3BPDE3A
SCHEMBL22967264 0.88 LMNA (0.33) ROCK2ROCK1LMNAATF4ADORA2A
SCHEMBL21217861 0.81 ROCK2 (0.61) ROCK2ROCK1RAB9A
SCHEMBL22967219 0.81 ROCK2 (0.61) ROCK2ROCK1RAB9A
SCHEMBL22966751 0.81 ROCK2 (0.61) ROCK2ROCK1RAB9A
SCHEMBL22967237 0.79 CYP1A2 (0.43) ROCK2ADORA2AADORA2BHPGD
SCHEMBL22967263 0.79 MAPT (0.32) LMNAADORA2AADORA2BRAB9A
SCHEMBL22967055 0.79 CDK4 (0.45) QPCTLMNAHPGDRAB9A

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 ROCK2 1/4885ROCK1 2/4885QPCT 2782/4885

“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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