SCHEMBL22967263

SCHEMBL22967263

N=Cc1cc(Nc2nnc(-c3ccc(OCC(=O)NC4=CCOC4)cc3)[nH]2)ccc1N

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ P2RY14 Q15391 3/20 0.32
▸ PORCN Q9H237 1/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ADORA2B P29275 2/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ SAE1 Q9UBE0 1/20 0.31
▸ UBA2 Q9UBT2 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ GAA P10253 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
SCHEMBL22967260 0.85 ADORA2B (0.35) ADORA2BADORA2ALMNAMCHR1
SCHEMBL22967264 0.84 LMNA (0.33) MAPTPOLBRAB9AKMT2AADORA2B
SCHEMBL22967060 0.82 ADORA2A (0.41) SMN1; SMN2POLBKMT2AADORA2BADORA2A
SCHEMBL22967056 0.82 ADORA2A (0.39) SMN1; SMN2KMT2AADORA2BADORA2ALMNA
SCHEMBL22967237 0.80 CYP1A2 (0.43) MAPTSMN1; SMN2ADORA2BADORA2A
SCHEMBL22967259 0.79 ROCK2 (0.41) RAB9AADORA2BADORA2ALMNA
SCHEMBL22967215 0.79 ROCK2 (0.41) RAB9AADORA2BADORA2ALMNA
SCHEMBL24094162 0.78 CTDSP1 (0.39) MAPTSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL24094128 0.77 PLG (0.34) RAB9ANPC1GAA
SCHEMBL24610300 0.76 JAK2 (0.34) SMN1; 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 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 MAPT 969/4885SMN1; SMN2 3120/4885POLB 4409/4885

“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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