SCHEMBL4181234

SCHEMBL4181234

N[C@@H]1CCc2[nH]ncc2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.54
KDR P35968 2/20 0.54
CDK8 P49336 2/20 0.54
CDK9 P50750 2/20 0.54
ROCK1 Q13464 2/20 0.54
CLK4 Q9HAZ1 2/20 0.54
DYRK1B Q9Y463 2/20 0.54
DAPK3 O43293 1/20 0.54
JAK2 O60674 1/20 0.54
CSF1R P07333 1/20 0.54
RET P07949 1/20 0.54
LTK P29376 1/20 0.54
GRK5 P34947 1/20 0.54
MAP2K2 P36507 1/20 0.54
MAPK8 P45983 1/20 0.54
CSNK1A1 P48729 1/20 0.54
CLK2 P49760 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
RPS6KA3 P51812 1/20 0.54

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
SCHEMBL2207712 1.00 PRKACA (0.54) PRKACAKDRCDK8CDK9ROCK1
SCHEMBL2207710 1.00 PRKACA (0.54) PRKACAKDRCDK8CDK9ROCK1
Hydrochloric Acid SCHEMBL11210316 0.98 DAPK3 (0.53) PRKACAKDRCDK8CDK9ROCK1
SCHEMBL2206646 0.85 DAPK3 (0.42) PRKACAKDRCDK8CDK9ROCK1
Hydrochloric Acid SCHEMBL11210575 0.83 DAPK3 (0.41) PRKACAKDRCDK8CDK9ROCK1
Hydrochloric Acid SCHEMBL2208418 0.83 DAPK3 (0.41) PRKACAKDRCDK8CDK9ROCK1
SCHEMBL23043397 0.77 PRKACA (0.54) PRKACAKDRCDK8CDK9ROCK1
SCHEMBL16123977 0.77 PRKACA (0.54) PRKACAKDRCDK8CDK9ROCK1
SCHEMBL16124191 0.77 PRKACA (0.54) PRKACAKDRCDK8CDK9ROCK1
SCHEMBL15014504 0.77 PRKACA (0.54) PRKACAKDRCDK8CDK9ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115944626-B Application of small molecular compound in preparation of anti-hypoxia or ischemia reperfusion injury drugs 桂林医学院附属医院 2024-04-19 CN disclosed
CN-115944626-A Application of small molecular compound in preparation of anti-hypoxia or ischemia-reperfusion injury medicine 桂林医学院附属医院 2023-04-11 CN disclosed
EP-2029579-B1 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2014-12-31 EP disclosed
US-20090111800-A1 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-30 US disclosed
EP-2029579-A2 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007124254-A2 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 WO 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-20090111800-A1 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD17B1 PRKACA 1521/4885KDR 3670/4885CDK8 3169/4885

“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.