SCHEMBL21055809

SCHEMBL21055809

CNc1nc(NCCc2ccccc2)nc2ccc(Br)cc12

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.59
APP P05067 8/20 0.59
BCHE P06276 8/20 0.59
CCNC P24863 1/20 0.55
CDK8 P49336 1/20 0.55
TRIM58 Q8NG06 2/20 0.54
SLC2A1 P11166 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL21055798 0.88 LMNA (0.59) ACHEAPPBCHETRIM58L3MBTL1
SCHEMBL21055815 0.87 APP (0.59) ACHEAPPBCHETRIM58SLC2A1
SCHEMBL21055811 0.86 APP (0.57) ACHEAPPBCHECCNCCDK8
SCHEMBL21055812 0.85 APP (0.79) ACHEAPPBCHESLC2A1KMT2A
SCHEMBL21055806 0.84 GRK6 (0.56) ACHEAPPBCHETRIM58SLC2A1
SCHEMBL13283269 0.75 HTT (0.76) APPCCNCCDK8RXFP1HTT
SCHEMBL16579894 0.75 ACHE (0.58) ACHEAPPBCHETRIM58KMT2A
SCHEMBL14869419 0.74 APP (0.65) ACHEAPPBCHESLC2A1L3MBTL1
SCHEMBL21055791 0.74 TRIM58 (0.74) ACHEAPPBCHETRIM58KMT2A
SCHEMBL16280680 0.74 BCHE (0.57) ACHEAPPBCHETRIM58KMT2A

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 ACHE 14/4885APP 742/4885BCHE 224/4885

“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.