SCHEMBL21118715

SCHEMBL21118715

C=C/C=c1/nc(NCCc2ccccc2)nc(NC)/c1=C/C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 5/20 0.47
▸ ACHE P22303 5/20 0.47
▸ BCHE P06276 4/20 0.47
▸ SLC2A1 P11166 1/20 0.42
▸ IP6K1 Q92551 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ KCNH3 Q9ULD8 1/20 0.38
▸ TRIM58 Q8NG06 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL21118718 0.89 BCHE (0.46) APPACHEBCHEKCNH3KMT2A
SCHEMBL21119041 0.80 ACHE (0.54) APPACHEBCHEKMT2AHPGD
SCHEMBL21055812 0.72 APP (0.79) APPACHEBCHESLC2A1KMT2A
SCHEMBL14869419 0.72 APP (0.65) APPACHEBCHESLC2A1ADORA3
SCHEMBL22151175 0.70 APP (0.64) APPACHEBCHEADORA3ADORA2A
SCHEMBL21055809 0.68 ACHE (0.59) APPACHEBCHESLC2A1TRIM58
SCHEMBL21055815 0.68 APP (0.59) APPACHEBCHESLC2A1TRIM58
SCHEMBL14869457 0.67 APP (0.58) APPACHEBCHESLC2A1ADORA3
SCHEMBL14869396 0.67 HPGD (0.62) APPACHEBCHEKCNH3KMT2A
SCHEMBL21055811 0.67 APP (0.57) APPACHEBCHESLC2A1TRIM58

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 742/4885ACHE 14/4885BCHE 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.

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