SCHEMBL19939399

SCHEMBL19939399

Cc1nc(C)c2nc(C)c(C)n2n1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL19942357 0.80 KDM4E (0.30) KDM4ENPSR1
SCHEMBL19939393 0.70 RXFP1 (0.39) SMN1; SMN2
SCHEMBL18223396 0.67 PDE10A (0.38) PDE10AKDM4EALDH1A1SMN1; SMN2
SCHEMBL19942422 0.67 DPP4 (0.31)
SCHEMBL3021727 0.64 PDE10A (0.34) PDE10AALDH1A1
SCHEMBL21266716 0.64 XDH (0.30) POLB
SCHEMBL10309386 0.62 PDE10A (0.47) PDE10A
SCHEMBL12415261 0.62 ALDH1A1 (0.49) PDE10AKDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL3010826 0.62 PDE10A (0.36) PDE10AALDH1A1SMN1; SMN2
SCHEMBL19942292 0.60

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-11731977-B2 SGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2023-08-22 US disclosed
US-20180065971-A1 sGC STIMULATORS TISENTO THERAPEUTICS INC. 2018-03-08 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-20180065971-A1 sGC STIMULATORS GUCY1A2, PRKG1, GMPS PDE10A 17/4885KDM4E 3250/4885ALDH1A1 2650/4885
US-11731977-B2 SGC stimulators GUCY1A2, PRKG1, GMPS PDE10A 17/4885KDM4E 3250/4885ALDH1A1 2650/4885

“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.