SCHEMBL21055797

SCHEMBL21055797

CNc1nc(Cl)nc2ccc(C)cc12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 1/20 0.55
TRIM58 Q8NG06 1/20 0.43
HTR3A P46098 4/20 0.43
HRH4 Q9H3N8 1/20 0.43
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
PDE2A O00408 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.40
ELANE P08246 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
IKBKB O14920 2/20 0.39
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39

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
SCHEMBL8898174 0.87 TRIM58 (0.56) KDM4ELMNAALDH1A1MAPTTRIM58
SCHEMBL21055786 0.86 LMNA (0.44) KDM4ELMNAALDH1A1MAPTHRH4
SCHEMBL10925980 0.85 LMNA (0.54) KDM4ELMNAALDH1A1MAPTHTT
SCHEMBL3598923 0.84 HTR3A (0.57) ALDH1A1TRIM58HTR3AHRH4HTT
SCHEMBL21055793 0.83 HTT (0.60) KDM4ELMNAALDH1A1MAPTTRIM58
SCHEMBL14690661 0.81 LMNA (0.50) KDM4ELMNAALDH1A1MAPTHTT
SCHEMBL21055792 0.79 APP (0.48) KDM4ELMNAALDH1A1MAPT
SCHEMBL30014145 0.78 KDM4E (0.62) KDM4ELMNAALDH1A1MAPTHTT
SCHEMBL1993196 0.78 KDM4E (0.62) KDM4ELMNAALDH1A1MAPTHTT
SCHEMBL21055799 0.77 PDE5A (0.69) KDM4ELMNAALDH1A1MAPTHTR3A

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 KDM4E 1608/4885LMNA 767/4885ALDH1A1 1226/4885

“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.