SCHEMBL4526085

SCHEMBL4526085

CNc1nc(N)nc2cc(-c3cccc(NS(C)(=O)=O)c3)ccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 13/20 0.63
CYP3A4 P08684 13/20 0.63
CLK4 Q9HAZ1 7/20 0.63
CYP2C19 P33261 10/20 0.60
CYP2D6 P10635 8/20 0.60
HPGD P15428 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
DHFR P00374 2/20 0.58
LMNA P02545 8/20 0.51
TSHR P16473 6/20 0.51
MAPK1 P28482 6/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
TP53 P04637 3/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 2/20 0.51
USP2 O75604 7/20 0.49
HIF1A Q16665 2/20 0.49
RAF1 P04049 1/20 0.48

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
Trifluoroacetic Acid SCHEMBL4533398 0.91 CYP1A2 (0.56) CYP1A2CYP3A4CLK4CYP2C19CYP2D6
SCHEMBL4527555 0.82 DHFR (0.54) HPGDSMN1; SMN2DHFRMAPK1MEN1
SCHEMBL4356012 0.81 CYP1A2 (0.60) CYP1A2CYP3A4CLK4CYP2C19CYP2D6
SCHEMBL4532712 0.81 DHFR (0.61) CYP1A2CYP3A4CLK4CYP2C19DHFR
SCHEMBL4528809 0.81 DHFR (0.65) CYP1A2DHFR
SCHEMBL4530789 0.80 LIMK1 (0.50) CYP1A2CYP3A4CLK4DHFRKDM1A
SCHEMBL4905355 0.78 CYP1A2 (0.57) CYP1A2CYP3A4CLK4CYP2C19CYP2D6
SCHEMBL4532427 0.77 DHFR (0.46) DHFRLMNAKDM4E
SCHEMBL4524726 0.77 DHFR (0.46) DHFR
Trifluoroacetic Acid SCHEMBL4533807 0.76 MAP4K4 (0.47) SMN1; SMN2DHFRMAPK1MEN1KMT2A

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 4 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
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US 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

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 1394/4885CLK4 1985/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 CYP1A2 671/4885CYP3A4 1394/4885CLK4 1985/4885

“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.