SCHEMBL16280670

SCHEMBL16280670

CNc1nc(NCc2ccccc2)nc2ccc(OC)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.64
SLC2A1 P11166 1/20 0.57
PDE5A O76074 2/20 0.56
TBXAS1 P24557 2/20 0.56
PDE3B Q13370 2/20 0.56
PDE3A Q14432 2/20 0.56
APP P05067 1/20 0.55
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
RAB9A P51151 2/20 0.54
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CTNNB1 P35222 2/20 0.53
TCF7L2 Q9NQB0 2/20 0.53
MERTK Q12866 1/20 0.53
RAD52 P43351 1/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51

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
SCHEMBL2590386 0.92 EGFR (0.70) EGFRSLC2A1PDE5ATBXAS1PDE3B
SCHEMBL21055806 0.89 GRK6 (0.56) EGFRSLC2A1APPBCHEACHE
SCHEMBL2590209 0.83 EGFR (0.69) EGFRSLC2A1APPBCHEACHE
SCHEMBL21055798 0.83 LMNA (0.59) PDE5AAPPBCHEACHESMN1; SMN2
SCHEMBL16579894 0.83 ACHE (0.58) PDE5AAPPBCHEACHERAB9A
SCHEMBL16280680 0.82 BCHE (0.57) PDE5AAPPBCHEACHECTNNB1
SCHEMBL21055791 0.82 TRIM58 (0.74) APPBCHEACHETP53CTNNB1
SCHEMBL16280679 0.81 ACHE (0.80) APPBCHEACHERAD52KMT2A
SCHEMBL21055800 0.80 EGFR (0.67) EGFRSLC2A1PDE5ATBXAS1PDE3B
SCHEMBL21055796 0.80 ACHE (0.54) APPBCHEACHECTNNB1TCF7L2

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 5 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-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 EGFR 4144/4885SLC2A1 1913/4885PDE5A 845/4885
US-20150080409-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT SYNCRIP, HNMT, IL5 EGFR 3314/4885SLC2A1 1870/4885PDE5A 106/4885

“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.