SCHEMBL15043366

SCHEMBL15043366

Cn1cc(-c2ccncn2)c(-c2ccc(C#Cc3ccc4ccccc4n3)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.55
EGFR P00533 2/20 0.55
FRK P42685 2/20 0.55
MAPK9 P45984 2/20 0.55
CSNK1A1 P48729 1/20 0.55
PDE10A Q9Y233 15/20 0.50
LGALS3 P17931 1/20 0.50
PDE4D Q08499 1/20 0.50
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE3B Q13370 3/20 0.42
CSNK1D P48730 1/20 0.42
SLK Q9H2G2 1/20 0.42
PDE3A Q14432 2/20 0.40
GRM5 P41594 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL15022107 0.87 PDE10A (0.62) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL15022971 0.87 PDE10A (0.62) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL15022075 0.81 PDE10A (0.53) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL15023023 0.80 PDE10A (0.52) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL15022257 0.79 PDE10A (0.71) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL15022260 0.78 MAP4K4 (0.66) MAP4K4EGFRFRKMAPK9CSNK1A1
SCHEMBL15022251 0.78 PDE10A (0.58) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL15733770 0.77 PDE10A (0.64) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL15022105 0.76 MAP4K4 (0.70) MAP4K4EGFRFRKMAPK9CSNK1A1
SCHEMBL30123205 0.76 PDE10A (0.65) PDE10ALGALS3PDE4DPDE4APDE4B

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-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF SU ZHOU JING HONG BIOTECH CO., LTD. (CN) 2013-06-20 US disclosed
US-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF SU ZHOU JING HONG BIOTECH CO., LTD. (CN) 2013-06-20 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 (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-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF CHRNA10, ATXN10, SCN10A MAP4K4 2850/4885EGFR 3632/4885FRK 1630/4885

“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.