SCHEMBL21055795

SCHEMBL21055795

Clc1nc(NCc2ccccc2)c2ccc(Br)cc2n1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.72
PDE5A O76074 6/20 0.72
LMNA P02545 2/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RAD52 P43351 1/20 0.51
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
UBE2N P61088 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RCE1 Q9Y256 1/20 0.50
MEN1 O00255 1/20 0.48
GBA1 P04062 1/20 0.48
ATM Q13315 1/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47

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
SCHEMBL21055794 0.92 PDE5A (0.71) APPPDE5ALMNAHTTSMN1; SMN2
SCHEMBL30208466 0.88 APP (0.56) APPPDE5AHTTSMN1; SMN2KMT2A
SCHEMBL20539622 0.88 APP (0.56) APPPDE5AHTTSMN1; SMN2KMT2A
SCHEMBL21055802 0.86 PDE5A (0.76) APPPDE5ALMNARAD52KMT2A
SCHEMBL12176032 0.86 RAD52 (0.70) APPPDE5ALMNAHTTSMN1; SMN2
SCHEMBL3113122 0.84 APP (1.00) APPPDE5ALMNAHTTSMN1; SMN2
SCHEMBL29388255 0.84 APP (1.00) APPPDE5ALMNAHTTSMN1; SMN2
SCHEMBL3638867 0.82 PDE5A (0.73) APPPDE5ALMNARAD52KMT2A
SCHEMBL18895144 0.82 BRD4 (0.61) APPPDE5ALMNAHTTSMN1; SMN2
SCHEMBL21055799 0.80 PDE5A (0.69) APPPDE5ALMNAHTTSMN1; SMN2

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 APP 742/4885PDE5A 845/4885LMNA 767/4885

“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.