SCHEMBL29940378

SCHEMBL29940378

Cc1ccnc(C2CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
PDE10A Q9Y233 3/20 0.39
PIK3C3 Q8NEB9 3/20 0.37
PDE9A O76083 2/20 0.36
HSD11B1 P28845 1/20 0.36
CYP17A1 P05093 1/20 0.35
CRBN Q96SW2 1/20 0.34
PDE8B O95263 1/20 0.34
CHRM4 P08173 1/20 0.33
UHRF1 Q96T88 1/20 0.33
ALOX15 P16050 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
SCHEMBL11996694 1.00 MAP4K4 (0.41) MAP4K4KDM4EHTTPDE10APIK3C3
SCHEMBL13806028 0.92 MAP4K4 (0.45) MAP4K4KDM4EHTTPDE10APIK3C3
SCHEMBL21573257 0.92 MAP4K4 (0.45) MAP4K4KDM4EHTTPDE9AHSD11B1
SCHEMBL19905881 0.90 MAP4K4 (0.44) MAP4K4KDM4EPDE9AHSD11B1CHRM4
SCHEMBL19905886 0.90 MAP4K4 (0.44) MAP4K4KDM4EPDE9AHSD11B1CHRM4
SCHEMBL28059134 0.90 MAP4K4 (0.44) MAP4K4KDM4EPDE9AHSD11B1CHRM4
SCHEMBL25719734 0.87 HTR2C (0.44) MAP4K4CHRM4
SCHEMBL15345172 0.87 PDE9A (0.43) MAP4K4PDE10APDE9ACHRM4
SCHEMBL15345115 0.85 MAP4K4 (0.42) MAP4K4PIK3C3HSD11B1
SCHEMBL1740414 0.82 HRH3 (0.38) MAP4K4PDE9AHSD11B1

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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
EP-4308229-A1 INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
WO-2022197763-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO 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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 MAP4K4 573/4885KDM4E 796/4885HTT 4156/4885

“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.