SCHEMBL21055792

SCHEMBL21055792

CNc1nc(Cl)nc2ccc(OC)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.48
SYK P43405 2/20 0.47
SLC2A1 P11166 1/20 0.46
EGFR P00533 2/20 0.46
NQO2 P16083 1/20 0.46
MERTK Q12866 2/20 0.45
MAPT P10636 1/20 0.44
GRM1 Q13255 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL2154803 0.85 CYP1A2 (0.65) SYKSMN1; SMN2KDM4ELMNAHSD17B10
SCHEMBL6039347 0.82 EGFR (0.65) SLC2A1EGFRMAPTGRM1SMN1; SMN2
SCHEMBL3108883 0.80 MEN1 (0.60) APPSLC2A1EGFRTP53LMNA
SCHEMBL29532068 0.80 KDM4E (0.48) APPSLC2A1EGFRNQO2SMN1; SMN2
SCHEMBL857818 0.80 KDM4E (0.48) APPSLC2A1EGFRNQO2SMN1; SMN2
SCHEMBL3598923 0.80 HTR3A (0.57) ALDH1A1
SCHEMBL21055800 0.79 EGFR (0.67) APPSLC2A1EGFRTP53SMN1; SMN2
SCHEMBL21055797 0.79 KDM4E (0.55) MAPTKDM4ELMNAALDH1A1
SCHEMBL21055793 0.79 HTT (0.60) MAPTSMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL2534998 0.79 KDM4E (0.55) SLC2A1NQO2MAPTTP53SMN1; 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 742/4885SYK 1132/4885SLC2A1 1913/4885

“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.