SCHEMBL4526439

SCHEMBL4526439

CNc1nc(N)nc2cc(-c3ccccc3F)ccc12

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.50
BACE1 P56817 1/20 0.47
ADORA2A P29274 1/20 0.46
PTPN1 P18031 9/20 0.45
MAP4K4 O95819 1/20 0.45
FEN1 P39748 2/20 0.44
LRRK2 Q5S007 1/20 0.42
ALOX5AP P20292 1/20 0.41
NLRP3 Q96P20 1/20 0.41

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
SCHEMBL4519688 0.86 DHFR (0.52) DHFRPTPN1MAP4K4NLRP3
SCHEMBL4517519 0.85 PTPN1 (0.51) DHFRPTPN1MAP4K4FEN1ALOX5AP
SCHEMBL4515183 0.85 PTPN1 (0.59) DHFRBACE1ADORA2APTPN1
SCHEMBL4524950 0.84 PTPN1 (0.60) DHFRBACE1PTPN1MAP4K4
SCHEMBL4529705 0.84 PTPN1 (0.60) DHFRPTPN1NLRP3
SCHEMBL4528905 0.84 PTPN1 (0.62) DHFRBACE1PTPN1
SCHEMBL17212409 0.83 CYP1A2 (0.54)
SCHEMBL4521232 0.82 DHFR (0.73) DHFRADORA2APTPN1MAP4K4LRRK2
SCHEMBL13888549 0.82 PTPN1 (0.57) DHFRPTPN1NLRP3
SCHEMBL4511415 0.82 DHFR (0.51) DHFRPTPN1FEN1ALOX5APNLRP3

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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
CN-101056865-A Aminoquinazolines compounds HOFFMANN LA ROCHE (CH) 2007-10-17 CN 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 DHFR 2071/4885BACE1 3629/4885ADORA2A 2385/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 DHFR 2071/4885BACE1 3629/4885ADORA2A 2385/4885

“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.