SCHEMBL4511516

SCHEMBL4511516

CNc1nc(N)nc2cc(-c3ccc(F)cc3OCC(=O)O)ccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.45
FEN1 P39748 1/20 0.45
DHFR P00374 2/20 0.43
KCNH2 Q12809 3/20 0.40
FFAR4 Q5NUL3 1/20 0.38
PKM P14618 1/20 0.38
APP P05067 2/20 0.37
PTGDR2 Q9Y5Y4 4/20 0.37
FFAR1 O14842 1/20 0.36
PPARD Q03181 1/20 0.36
PDE10A Q9Y233 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGDR Q13258 1/20 0.36
PTGER2 P43116 1/20 0.35

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
SCHEMBL4514410 0.89 KCNH2 (0.40) ALOX5APFEN1DHFRKCNH2FFAR4
SCHEMBL4520541 0.87 KCNH2 (0.47) ALOX5APFEN1DHFRKCNH2
SCHEMBL27679380 0.80 KCNH2 (0.46) DHFRKCNH2APP
SCHEMBL4527423 0.78 KCNH2 (0.43) DHFRKCNH2APP
Trifluoroacetic Acid SCHEMBL4535354 0.77 DHFR (0.46) ALOX5APFEN1DHFRAPPPPARD
SCHEMBL13895183 0.75 DHFR (0.53) DHFRKCNH2APPMEN1KMT2A
SCHEMBL13888550 0.75 DHFR (0.74) DHFRPDE10A
SCHEMBL4525827 0.74 DHFR (0.55) DHFRKMT2A
SCHEMBL4518225 0.74 DHFR (0.52) ALOX5APFEN1DHFRAPP
SCHEMBL4514416 0.74 KCNH2 (0.39) DHFRKCNH2PDE10A

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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 WO 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 ALOX5AP 3709/4885FEN1 3010/4885DHFR 2071/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 ALOX5AP 3709/4885FEN1 3010/4885DHFR 2071/4885

“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.