SCHEMBL1369628

SCHEMBL1369628

[N]Cl.c1cnc2ccnn2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
CDK2 P24941 1/20 0.39
SMPD3 Q9NY59 3/20 0.38
AXL P30530 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
DYRK1A Q13627 2/20 0.36
TGFBR1 P36897 3/20 0.35
MAP4K4 O95819 3/20 0.34
PIK3CG P48736 2/20 0.33
BMP4 P12644 1/20 0.33
SCN5A Q14524 1/20 0.32
PRKACA P17612 1/20 0.32
CDK8 P49336 1/20 0.32
MAPK14 Q16539 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
NOTUM Q6P988 1/20 0.31

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
SCHEMBL19173 0.93
SCHEMBL31338725 0.91 PDE10A (0.45) PDE10ACDK2SMPD3AXLAPOBEC3A
Hydrochloric Acid SCHEMBL6894527 0.91 PDE10A (0.45) PDE10ACDK2SMPD3AXLAPOBEC3A
SCHEMBL31674379 0.91 PDE10A (0.45) PDE10ACDK2SMPD3AXLAPOBEC3A
Pyridine SCHEMBL28190620 0.83 DYRK1A (0.41) PDE10ACDK2SMPD3AXLAPOBEC3A
Formamide SCHEMBL19611795 0.82 SMPD3 (0.39) PDE10ACDK2SMPD3AXLAPOBEC3A
M-Xylene SCHEMBL26641909 0.79 ACHE (0.43) PDE10AAPOBEC3AAPOBEC3GDYRK1ATGFBR1
SCHEMBL15313356 0.77 ABCG2 (0.48) PDE10AAPOBEC3G
SCHEMBL4499534 0.75
SCHEMBL29989948 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067424-B2 Selective inhibitors for cyclin-dependent kinases EMORY UNIVERSITY (US) 2011-11-29 US disclosed
US-20100261683-A1 Selective Inhibitors for Cyclin-Dependent Kinases EMORY UNIVERSITY 2010-10-14 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 (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-20100261683-A1 Selective Inhibitors for Cyclin-Dependent Kinases CDK7, CCNK, CDK17 PDE10A 3045/4885CDK2 5/4885SMPD3 3420/4885

“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.