SCHEMBL2247129

SCHEMBL2247129

c1cnc2[nH]c3c(c2c1)C[N]CC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.40
PARP1 P09874 1/20 0.40
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3B P49841 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
PDK2 Q15119 1/20 0.38
FEN1 P39748 1/20 0.36
LRRK2 Q5S007 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
CTSK P43235 1/20 0.34
AXL P30530 1/20 0.34
CHEK1 O14757 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33

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
SCHEMBL6299491 0.78 PARP1 (0.50) AURKAPARP1CDK5CDK5R1CCNB2
SCHEMBL31447884 0.77 PARP1 (0.49) AURKAPARP1CDK5CDK5R1CCNB2
SCHEMBL30339480 0.75 HTR2A (0.56) AURKAPARP1CDK5CDK5R1CCNB2
SCHEMBL24101668 0.75 HTR2A (0.56) AURKAPARP1CDK5CDK5R1CCNB2
SCHEMBL2248887 0.75 HTR2A (0.54) MAPTALDH1A1
SCHEMBL961368 0.74 TAAR1 (0.55) AURKAPARP1CDK5CDK5R1CCNB2
SCHEMBL31144825 0.73 PDK2 (0.40) AURKAPARP1CDK5CDK5R1CCNB2
SCHEMBL21806815 0.73 PDK2 (0.40) AURKAPARP1CDK5CDK5R1CCNB2
SCHEMBL4871614 0.73 POLB (0.42) AURKAPARP1CDK5CDK5R1CCNB2
SCHEMBL24101593 0.72 KDM4E (0.47) AURKAPARP1PDK2CTSKMAPT

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
EP-2170879-B1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2013-01-16 EP disclosed
US-8008279-B2 Compound—827 ASTRAZENECA AB (SE) 2011-08-30 US disclosed
US-20090012077-A1 Novel Compound - 827 ASTRAZENECA AB (SE) 2009-01-08 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-20090012077-A1 Novel Compound - 827 CTSS, CTSF, CTSB AURKA 2809/4885PARP1 3099/4885CDK5 670/4885

“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.