SCHEMBL29936727

SCHEMBL29936727

CN1CCC(Oc2ccc3cnc(N)nc3c2)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.43
PDE3B Q13370 6/20 0.42
PDE3A Q14432 6/20 0.42
PDE10A Q9Y233 6/20 0.42
KCNH2 Q12809 1/20 0.39
SOS1 Q07889 1/20 0.39
USP2 O75604 1/20 0.39
USP1 O94782 1/20 0.39
USP8 P40818 1/20 0.39
OTUB1 Q96FW1 1/20 0.39
AXL P30530 1/20 0.39
KDR P35968 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 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
SCHEMBL14391801 0.76 AKT1 (0.48) PDE10ASOS1
SCHEMBL30979869 0.76 AKT1 (0.48) PDE10ASOS1
SCHEMBL24322991 0.74 CLK2 (0.44) CHEK2
SCHEMBL189416 0.73 HRH3 (0.54) CHEK2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24596865 0.73 HRH3 (0.54) CHEK2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24596869 0.73 HRH3 (0.54) CHEK2CHRM4CHRM5CHRM1CHRM3
SCHEMBL30979897 0.72 EGFR (0.57)
SCHEMBL25335531 0.71 CYP3A4 (0.46) CHEK2
SCHEMBL30514943 0.71 CYP3A4 (0.46) CHEK2
SCHEMBL559277 0.71 MAPK8 (0.46) PDE10AKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246940-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF VORONOI INC. (KR) 2024-07-25 US claimed

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-20240246940-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF ERBB2, EGFR, ERBB3 CHEK2 120/4885PDE3B 4349/4885PDE3A 4694/4885

“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.