SCHEMBL4533676

SCHEMBL4533676

CNc1nc(N)nc2cc(-c3c(OC)cccc3OC)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.53
PTPN1 P18031 3/20 0.52
EGFR P00533 1/20 0.46
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
MAPK1 P28482 2/20 0.43
CYP2C19 P33261 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
APP P05067 3/20 0.43
HSP90AA1 P07900 2/20 0.43
HSP90AB1 P08238 2/20 0.43
DCPS Q96C86 1/20 0.43
NLRP3 Q96P20 2/20 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
SCHEMBL4527908 0.92 PTPN1 (0.50) DHFRPTPN1EGFRKDM4EALDH1A1
SCHEMBL4521232 0.86 DHFR (0.73) DHFRPTPN1KDM4EALDH1A1LMNA
SCHEMBL4532365 0.84 DHFR (0.73) DHFRHSP90AA1HSP90AB1DCPSHRH4
SCHEMBL4533460 0.84 HRH4 (0.55) DHFRPTPN1CYP1A2CYP3A4CYP2D6
SCHEMBL4517519 0.82 PTPN1 (0.51) DHFRPTPN1APPNLRP3HRH4
SCHEMBL4526172 0.82 PTPN1 (0.59) DHFRPTPN1CYP1A2CYP3A4CYP2D6
SCHEMBL4531641 0.81 DHFR (0.46) DHFRPTPN1EGFRKDM4EALDH1A1
SCHEMBL4529240 0.80 PTPN1 (0.53) DHFRPTPN1KDM4ELMNANLRP3
SCHEMBL4532712 0.79 DHFR (0.61) DHFRPTPN1ALDH1A1CYP1A2CYP3A4
SCHEMBL4527944 0.79 PTPN1 (0.57) DHFRPTPN1CYP1A2CYP2D6CYP2C19

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 DHFR 2071/4885PTPN1 2/4885EGFR 1366/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 DHFR 2071/4885PTPN1 2/4885EGFR 1366/4885

“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.