SCHEMBL23988833

SCHEMBL23988833

CC(=O)c1ccc2c(N)nccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
ROCK1 Q13464 4/20 0.50
C1S P09871 1/20 0.50
F12 P00748 4/20 0.46
CSNK2A1 P68400 2/20 0.46
HIPK2 Q9H2X6 2/20 0.46
PLAU P00749 1/20 0.46
NCF1 P14598 1/20 0.46
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
BACE1 P56817 1/20 0.46
KLKB1 P03952 3/20 0.46
PLG P00747 2/20 0.46
F11 P03951 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46

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
SCHEMBL393250 0.85 GABRP (0.53) ALDH1A1MAPTROCK1C1SF12
SCHEMBL5735418 0.85 CSNK2A1 (0.61) ROCK1C1SF12CSNK2A1HIPK2
Hydrochloric Acid SCHEMBL6439046 0.83 GABRP (0.51) ALDH1A1MAPTROCK1C1SF12
Hydrochloric Acid SCHEMBL16246816 0.83 CSNK2A1 (0.59) ROCK1C1SF12CSNK2A1HIPK2
SCHEMBL30159603 0.83 LCK (0.54) ALDH1A1MAPTHPGDROCK1C1S
SCHEMBL18640167 0.83 LCK (0.54) ALDH1A1MAPTHPGDROCK1C1S
SCHEMBL22000160 0.83 PLK1 (0.52) ROCK1C1SCSNK2A1HIPK2PLAU
SCHEMBL31003157 0.81 ALDH1A1 (0.53) ALDH1A1MAPTHPGDC1SHIPK2
SCHEMBL7902184 0.80 F7 (0.57) ALDH1A1MAPTROCK1F11MAP4K4
SCHEMBL27512136 0.79 LMNA (0.50) ALDH1A1MAPTROCK1C1S

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-20210340105-A1 AMINOPYRIDINE COMPOUNDS AND METHODS FOR THE PREPARATION AND USE THEREOF Cortexyme, Inc. (US) 2021-11-04 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-20210340105-A1 AMINOPYRIDINE COMPOUNDS AND METHODS FOR THE PREPARATION AND USE THEREOF ENPEP, DNPEP, ANPEP ALDH1A1 2722/4885MAPT 973/4885HPGD 441/4885

“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.