SCHEMBL4527358

SCHEMBL4527358

CNc1nc(N)nc2cc(-c3c(C)cccc3C(=O)N(C)C)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP2C9 P11712 2/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
HRH4 Q9H3N8 2/20 0.42
DHFR P00374 3/20 0.40
SRC P12931 1/20 0.40
PTPN1 P18031 3/20 0.40
ALOX5AP P20292 1/20 0.39
NLRP3 Q96P20 2/20 0.36
TARS1 P26639 1/20 0.35
CYP2D6 P10635 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 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
SCHEMBL4525920 0.89 HRH4 (0.40) CYP1A2CYP3A4HSD17B10CYP2C9USP2
SCHEMBL4524754 0.88 CYP3A4 (0.41) CYP1A2CYP3A4HSD17B10CYP2C9USP2
SCHEMBL4525916 0.88 PTPN1 (0.49) CYP1A2CYP3A4HSD17B10CYP2C9USP2
SCHEMBL4529983 0.88 HRH4 (0.44) CYP1A2CYP3A4HSD17B10CYP2C9USP2
SCHEMBL4535277 0.87 CYP3A4 (0.40) CYP1A2CYP3A4HSD17B10CYP2C9USP2
SCHEMBL4526220 0.87 ALOX5AP (0.44) CYP2C9HRH4DHFRSRCPTPN1
SCHEMBL4516605 0.86 HRH4 (0.43) HSD17B10HRH4DHFRSRCPTPN1
SCHEMBL4533460 0.84 HRH4 (0.55) CYP1A2CYP3A4HSD17B10USP2CLK4
SCHEMBL4528686 0.83 ALOX5AP (0.42) CYP2C9HRH4DHFRSRCPTPN1
Trifluoroacetic Acid SCHEMBL4527956 0.82 CYP3A4 (0.38) CYP1A2CYP3A4HSD17B10CYP2C9USP2

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 10 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 claimed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP claimed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US claimed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 WO claimed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
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 CYP1A2 671/4885CYP3A4 1394/4885HSD17B10 1554/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 CYP1A2 671/4885CYP3A4 1394/4885HSD17B10 1554/4885

“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.