SCHEMBL14299249

SCHEMBL14299249

CC(=O)n1ncc2nc(C)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.51
AURKA O14965 1/20 0.51
DAPK3 O43293 1/20 0.51
CSNK1A1 P48729 1/20 0.51
GSK3A P49840 1/20 0.51
LIMK1 P53667 1/20 0.51
IKBKE Q14164 1/20 0.51
MAPK14 Q16539 1/20 0.51
TAOK1 Q7L7X3 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
HDAC8 Q9BY41 1/20 0.43
CREBBP Q92793 1/20 0.36
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
KMT2A Q03164 1/20 0.35
MAP3K14 Q99558 2/20 0.34
SLC2A1 P11166 2/20 0.34
SLC22A12 Q96S37 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL19259003 0.83 HDAC8 (0.38) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL18130788 0.81 CHEK1 (0.50) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL29626895 0.78 CHEK1 (0.47) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL14299250 0.78 CHEK1 (0.47) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL16525447 0.73 CHEK1 (0.43) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL13748528 0.72 CHEK1 (0.69) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL1638804 0.72 CHEK1 (0.44) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL31185750 0.72 IKBKE (0.44) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL7927906 0.72 HDAC8 (0.39) HDAC8CYP1A2
SCHEMBL4139235 0.71 CHEK1 (0.43) CHEK1AURKADAPK3CSNK1A1GSK3A

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-20180111925-A1 3-ARYL-2H-PYRAZOLO[4,3-b]PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-26 US disclosed
US-8546442-B2 Pyrazolopiperidine compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-20120322790-A1 Pyrazolopiperidine Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 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 (2 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-20180111925-A1 3-ARYL-2H-PYRAZOLO[4,3-b]PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN3A, GRIN3B, GRIN2B CHEK1 3959/4885AURKA 1885/4885DAPK3 1601/4885
US-20120322790-A1 Pyrazolopiperidine Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 CHEK1 2104/4885AURKA 4366/4885DAPK3 1238/4885

“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.