SCHEMBL4533792

SCHEMBL4533792

CN1C(N)=Nc2cc(-c3cccs3)ccc2C1N

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
BACE1 P56817 1/20 0.39
HDAC1 Q13547 15/20 0.38
HDAC2 Q92769 15/20 0.38
HDAC3 O15379 13/20 0.38
LTA4H P09960 1/20 0.38
PRMT6 Q96LA8 1/20 0.35
CHEK1 O14757 1/20 0.35

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
SCHEMBL3737178 0.77 KDM4E (0.44) BACE1
SCHEMBL4527945 0.76 SCN9A (0.36)
SCHEMBL4528927 0.71 CTSD (0.31)
SCHEMBL7003125 0.65 KCNH2 (0.48) KCNH2HDAC1HDAC2HDAC3LTA4H
SCHEMBL338810 0.64 LTA4H (0.70) KCNH2HDAC2LTA4HPRMT6
SCHEMBL830311 0.63 LTA4H (0.63) KCNH2HDAC1HDAC2HDAC3LTA4H
SCHEMBL1334921 0.62 KCNH2 (0.59) KCNH2LTA4HPRMT6
SCHEMBL13376370 0.62 KCNH2 (0.51) KCNH2HDAC1HDAC2HDAC3LTA4H
SCHEMBL13706069 0.62 KCNH2 (0.51) KCNH2HDAC1HDAC2HDAC3LTA4H
SCHEMBL7455134 0.62 LTA4H (0.67) KCNH2HDAC2LTA4HPRMT6

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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US claimed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 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 (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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 KCNH2 3854/4885BACE1 3629/4885HDAC1 1548/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 KCNH2 3854/4885BACE1 3629/4885HDAC1 1548/4885

“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.