SCHEMBL21999103

SCHEMBL21999103

Nc1cc(OC2CCNC2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 2/20 0.55
ROCK1 Q13464 5/20 0.54
ROCK2 O75116 2/20 0.54
KCNH2 Q12809 1/20 0.54
CHRNB2 P17787 1/20 0.52
CHRNA4 P43681 1/20 0.52
CHUK O15111 1/20 0.47
DYRK3 O43781 1/20 0.47
MAP4K4 O95819 1/20 0.47
PIM1 P11309 1/20 0.47
PRKACA P17612 1/20 0.47
RPS6KB1 P23443 1/20 0.47
AKT1 P31749 1/20 0.47
CLK2 P49760 1/20 0.47
PRKX P51817 1/20 0.47
PRKG2 Q13237 1/20 0.47
DYRK1A Q13627 1/20 0.47
PRKG1 Q13976 1/20 0.47
PKN2 Q16513 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47

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
SCHEMBL21999104 0.91 ROCK1 (0.65) PRKCZROCK1ROCK2KCNH2CHRNB2
SCHEMBL21999270 0.91 ROCK1 (0.62) PRKCZROCK1ROCK2KCNH2CHRNB2
SCHEMBL21999098 0.87 NOS3 (0.50) PRKCZROCK1ROCK2KCNH2
SCHEMBL14637040 0.82 NOS3 (0.55) ROCK1ROCK2KCNH2DYRK1A
SCHEMBL31619927 0.82 NOS3 (0.55) ROCK1ROCK2KCNH2DYRK1A
SCHEMBL21603259 0.82 PRKCZ (0.55) PRKCZROCK1ROCK2KCNH2CHRNB2
SCHEMBL31403631 0.79 NOS3 (0.52) ROCK1ROCK2KCNH2
SCHEMBL4007534 0.78 ROCK1 (0.86) PRKCZROCK1ROCK2KCNH2CHRNB2
SCHEMBL4003721 0.78 ROCK1 (0.86) PRKCZROCK1ROCK2KCNH2CHRNB2
SCHEMBL2266554 0.77 CHRNB2 (0.66) PRKCZROCK1ROCK2CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210340105-A1 AMINOPYRIDINE COMPOUNDS AND METHODS FOR THE PREPARATION AND USE THEREOF Cortexyme, Inc. (US) 2021-11-04 US disclosed
US-11059786-B2 Aminopyridine compounds and methods for the preparation and use thereof Cortexyme, Inc. (US) 2021-07-13 US disclosed
US-20200148642-A1 AMINOPYRIDINE COMPOUNDS AND METHODS FOR THE PREPARATION AND USE THEREOF Cortexyme, Inc. (US) 2020-05-14 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 (3 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-20200148642-A1 AMINOPYRIDINE COMPOUNDS AND METHODS FOR THE PREPARATION AND USE THEREOF ENPEP, DNPEP, ANPEP PRKCZ 979/4885ROCK1 622/4885ROCK2 1002/4885
US-11059786-B2 Aminopyridine compounds and methods for the preparation and use thereof ENPEP, DNPEP, ANPEP PRKCZ 979/4885ROCK1 622/4885ROCK2 1002/4885
US-20210340105-A1 AMINOPYRIDINE COMPOUNDS AND METHODS FOR THE PREPARATION AND USE THEREOF ENPEP, DNPEP, ANPEP PRKCZ 979/4885ROCK1 622/4885ROCK2 1002/4885

“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.