SCHEMBL21055802

SCHEMBL21055802

Clc1ccc2c(NCc3ccccc3)nc(Cl)nc2c1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.76
APP P05067 5/20 0.76
PKM P14618 2/20 0.56
ACHE P22303 1/20 0.54
MAT2A P31153 1/20 0.54
RAD52 P43351 1/20 0.54
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
UBE2N P61088 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RCE1 Q9Y256 1/20 0.52
HTR3A P46098 1/20 0.51
HRH4 Q9H3N8 1/20 0.51
MEN1 O00255 1/20 0.50
GBA1 P04062 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL3638867 0.90 PDE5A (0.73) PDE5AAPPPKMMAT2ARAD52
SCHEMBL2587220 0.89 RAD52 (0.70) PDE5AAPPPKMACHERAD52
SCHEMBL29388255 0.86 APP (1.00) PDE5AAPPPKMACHERAD52
SCHEMBL3113122 0.86 APP (1.00) PDE5AAPPPKMACHERAD52
SCHEMBL21055795 0.86 APP (0.72) PDE5AAPPPKMACHERAD52
SCHEMBL3106597 0.85 APP (0.85) PDE5AAPPPKMACHERAD52
SCHEMBL28805458 0.85 PDE5A (0.76) PDE5AKMT2AALDH1A1LMNAMAPT
SCHEMBL3110406 0.83 HTT (0.70) PDE5AAPPLMNAHRH4
SCHEMBL12179341 0.81 APP (0.59) PDE5AAPPPKMKDM4EALDH1A1
SCHEMBL20539622 0.80 APP (0.56) PDE5AAPPKMT2AKDM4EALDH1A1

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-10323007-B1 N2N N4-disubstituted quinazoline-2,4-diamines and uses thereof UNIVERSITY OF SOUTH FLORIDA (US) 2019-06-18 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-10323007-B1 N2N N4-disubstituted quinazoline-2,4-diamines and uses thereof NQO2, NQO1, NIT2 PDE5A 845/4885APP 742/4885PKM 3147/4885

“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.