SCHEMBL4516605

SCHEMBL4516605

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.43
ALOX5AP P20292 2/20 0.41
DHFR P00374 3/20 0.41
SRC P12931 2/20 0.41
PTPN1 P18031 4/20 0.40
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
NLRP3 Q96P20 2/20 0.36
ILK Q13418 1/20 0.36
TARS1 P26639 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CFTR P13569 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL4529983 0.89 HRH4 (0.44) HRH4ALOX5APDHFRSRCPTPN1
SCHEMBL4525916 0.89 PTPN1 (0.49) HRH4ALOX5APDHFRSRCPTPN1
SCHEMBL4526220 0.88 ALOX5AP (0.44) HRH4ALOX5APDHFRSRCPTPN1
SCHEMBL4527358 0.86 CYP1A2 (0.44) HRH4ALOX5APDHFRSRCPTPN1
SCHEMBL4533460 0.85 HRH4 (0.55) HRH4DHFRSRCPTPN1NLRP3
SCHEMBL4525906 0.84 SLC6A3 (0.53) ALOX5APDHFRPTPN1TLR8TLR7
SCHEMBL4528686 0.84 ALOX5AP (0.42) HRH4ALOX5APDHFRSRCPTPN1
SCHEMBL4525920 0.83 HRH4 (0.40) HRH4ALOX5APDHFRSRCPTPN1
SCHEMBL4512865 0.82 HRH4 (0.45) HRH4PTPN1ALDH1A1
SCHEMBL4524754 0.81 CYP3A4 (0.41) HRH4DHFRSRCPTPN1NLRP3

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 HRH4 3834/4885ALOX5AP 3709/4885DHFR 2071/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 HRH4 3834/4885ALOX5AP 3709/4885DHFR 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.