SCHEMBL4524950

SCHEMBL4524950

CNc1nc(N)nc2cc(-c3ccccc3Cl)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.60
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
DHFR P00374 4/20 0.50
BACE1 P56817 1/20 0.47
PTGES O14684 1/20 0.43
MAP4K4 O95819 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
NUDT1 P36639 1/20 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
SCHEMBL4532516 0.90 PTPN1 (0.61) PTPN1CYP1A2CYP3A4CYP2D6CYP2C9
Trifluoroacetic Acid SCHEMBL4533714 0.89 PTPN1 (0.49) PTPN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4519688 0.86 DHFR (0.52) PTPN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4511450 0.86 PTPN1 (0.62) PTPN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4515183 0.85 PTPN1 (0.59) PTPN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4526172 0.85 PTPN1 (0.59) PTPN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4529705 0.84 PTPN1 (0.60) PTPN1DHFR
SCHEMBL4526439 0.84 DHFR (0.50) PTPN1DHFRBACE1MAP4K4
SCHEMBL4521232 0.82 DHFR (0.73) PTPN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13888549 0.82 PTPN1 (0.57) PTPN1DHFR

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 PTPN1 2/4885CYP1A2 671/4885CYP3A4 1394/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 PTPN1 2/4885CYP1A2 671/4885CYP3A4 1394/4885

“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.