SCHEMBL16280669

SCHEMBL16280669

CNc1nc(NCc2ccccc2)c2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 1.00
BCHE P06276 7/20 1.00
RAD52 P43351 1/20 0.82
KDM4E B2RXH2 1/20 0.79
ALDH1A1 P00352 1/20 0.79
LMNA P02545 1/20 0.79
MAPT P10636 1/20 0.79
PKM P14618 1/20 0.79
UBE2N P61088 1/20 0.79
KMT2A Q03164 1/20 0.79
NPSR1 Q6W5P4 1/20 0.79
RCE1 Q9Y256 1/20 0.79
APP P05067 9/20 0.76
CASP6 P55212 1/20 0.66
PDE5A O76074 1/20 0.63

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
SCHEMBL12175837 0.90 RAD52 (1.00) ACHEBCHERAD52KDM4EALDH1A1
SCHEMBL16280679 0.89 ACHE (0.80) ACHEBCHERAD52KDM4EALDH1A1
SCHEMBL3117720 0.88 BCHE (0.78) ACHEBCHERAD52KDM4EALDH1A1
SCHEMBL2256496 0.88 ACHE (0.78) ACHEBCHERAD52KDM4EALDH1A1
SCHEMBL21055805 0.86 ACHE (0.75) ACHEBCHERAD52KDM4EALDH1A1
SCHEMBL3639768 0.85 RAD52 (0.82) ACHEBCHERAD52KDM4EALDH1A1
SCHEMBL21055807 0.84 BCHE (0.72) ACHEBCHERAD52KDM4EALDH1A1
SCHEMBL25867300 0.84 BCHE (0.71) ACHEBCHERAD52KDM4EALDH1A1
SCHEMBL3636779 0.84 ACHE (1.00) ACHEBCHERAD52KDM4EALDH1A1
SCHEMBL3640101 0.83 RAD52 (0.79) ACHEBCHERAD52KDM4EALDH1A1

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 6 patents. 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
US-10323007-B1 N2N N4-disubstituted quinazoline-2,4-diamines and uses thereof UNIVERSITY OF SOUTH FLORIDA (US) 2019-06-18 US disclosed
US-20150080409-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT UNIVERSITY OF SOUTH FLORIDA (A FLORIDA NON-PROFIT CORPORATION) (US) 2015-03-19 US disclosed
US-20150080409-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT UNIVERSITY OF SOUTH FLORIDA (A FLORIDA NON-PROFIT CORPORATION) (US) 2015-03-19 US disclosed
US-8906918-B1 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (A FLORIDA NON-PROFIT CORPORATION) (US) 2014-12-09 US disclosed
US-8906918-B1 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (A FLORIDA NON-PROFIT CORPORATION) (US) 2014-12-09 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 (2 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 14/4885BCHE 224/4885RAD52 1732/4885
US-20150080409-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT SYNCRIP, HNMT, IL5 ACHE 8/4885BCHE 102/4885RAD52 4460/4885

“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.