SCHEMBL4535526

SCHEMBL4535526

CNc1nc(N)nc2cc(-c3ccccc3OC(F)F)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.54
PTPN1 P18031 7/20 0.46
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP2C19 P33261 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.41
DRD1 P21728 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
APP P05067 1/20 0.38
EGFR P00533 1/20 0.37

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
SCHEMBL4521232 0.86 DHFR (0.73) DHFRPTPN1KDM4EALDH1A1LMNA
SCHEMBL4521785 0.83 DHFR (0.55) DHFRPTPN1KDM4EALDH1A1LMNA
SCHEMBL13888550 0.83 DHFR (0.74) DHFRPTPN1KDM4EALDH1A1LMNA
SCHEMBL4526439 0.81 DHFR (0.50) DHFRPTPN1ALOX5APFEN1NLRP3
SCHEMBL4519688 0.80 DHFR (0.52) DHFRPTPN1CYP1A2CYP3A4CYP2D6
SCHEMBL16184069 0.80 CYP1A2 (0.57) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4533461 0.80 DHFR (0.57) DHFRPTPN1KDM4EALDH1A1LMNA
SCHEMBL4515183 0.79 PTPN1 (0.59) DHFRPTPN1CYP1A2CYP3A4CYP2D6
SCHEMBL16184075 0.79 CYP1A2 (0.43) DHFRKDM4EALDH1A1LMNACYP1A2
SCHEMBL4511008 0.79 DHFR (0.51) DHFRPTPN1ALOX5APFEN1APP

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 2/4885KDM4E 462/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 DHFR 2071/4885PTPN1 2/4885KDM4E 462/4885

“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.