SCHEMBL22967060

SCHEMBL22967060

N=Cc1cc(Nc2nnc(-c3ccc(OCC(=O)NC4CCCC4)cc3)[nH]2)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.41
▸ ADORA2B P29275 2/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ PDE3B Q13370 3/20 0.39
▸ PDE3A Q14432 3/20 0.39
▸ P2RY12 Q9H244 3/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL22967056 0.98 ADORA2A (0.39) ADORA2AADORA2BKMT2AMEN1L3MBTL1
SCHEMBL22967264 0.91 LMNA (0.33) ADORA2AADORA2BKMT2AMEN1LMNA
SCHEMBL22967215 0.91 ROCK2 (0.41) ADORA2AADORA2BLMNAHTTPDE3B
SCHEMBL22967259 0.91 ROCK2 (0.41) ADORA2AADORA2BLMNAHTTPDE3B
SCHEMBL22967055 0.86 CDK4 (0.45) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL22967237 0.82 CYP1A2 (0.43) ADORA2AADORA2BALDH1A1SMN1; SMN2
SCHEMBL22967263 0.82 MAPT (0.32) ADORA2AADORA2BKMT2AL3MBTL1LMNA
SCHEMBL21217525 0.80 ROCK2 (0.58) KMT2AMEN1
SCHEMBL22967260 0.80 ADORA2B (0.35) ADORA2AADORA2BLMNA
SCHEMBL24094162 0.80 CTDSP1 (0.39) KMT2AMEN1ALDH1A1LMNASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4026834-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE Redx Pharma Plc (GB) 2022-07-13 — — EP disclosed
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 ADORA2A 2258/4885ADORA2B 3452/4885KMT2A 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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