SCHEMBL16280680

SCHEMBL16280680

CNc1nc(NCc2ccccc2)nc2ccc(Cl)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.57
ACHE P22303 3/20 0.57
RAD52 P43351 1/20 0.55
HTR3A P46098 2/20 0.55
HRH4 Q9H3N8 1/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
UBE2N P61088 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RCE1 Q9Y256 1/20 0.54
PDE5A O76074 4/20 0.53
APP P05067 4/20 0.52
TRIM58 Q8NG06 1/20 0.51
NTRK1 P04629 1/20 0.51
BRD4 O60885 1/20 0.50
CTNNB1 P35222 1/20 0.49

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
SCHEMBL21118626 0.91 ACHE (0.59) BCHEACHERAD52KDM4EALDH1A1
SCHEMBL2590769 0.90 RAD52 (0.68) BCHEACHERAD52HTR3AHRH4
SCHEMBL21055811 0.88 APP (0.57) BCHEACHEHTR3AHRH4ALDH1A1
SCHEMBL21055798 0.85 LMNA (0.59) BCHEACHERAD52KDM4EALDH1A1
SCHEMBL16579894 0.85 ACHE (0.58) BCHEACHERAD52KDM4EALDH1A1
SCHEMBL21055791 0.84 TRIM58 (0.74) BCHEACHERAD52KDM4EALDH1A1
SCHEMBL16280679 0.83 ACHE (0.80) BCHEACHERAD52KDM4EALDH1A1
SCHEMBL16280670 0.82 EGFR (0.64) BCHEACHERAD52KDM4EALDH1A1
SCHEMBL21055796 0.82 ACHE (0.54) BCHEACHERAD52KDM4EALDH1A1
SCHEMBL2587220 0.81 RAD52 (0.70) BCHEACHERAD52KDM4EALDH1A1

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 4 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-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 BCHE 224/4885ACHE 14/4885RAD52 1732/4885
US-20150080409-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT SYNCRIP, HNMT, IL5 BCHE 102/4885ACHE 8/4885RAD52 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.