SCHEMBL4523710

SCHEMBL4523710

CCCC[Sn](CCCC)(CCCC)c1ccc2c(NC)nc(N)nc2c1.CNc1nc(N)nc2cc(-c3ccccc3C(=O)c3ccccc3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.43
TLR8 Q9NR97 4/20 0.37
TLR7 Q9NYK1 3/20 0.37
DHFR P00374 3/20 0.37
CYP2C9 P11712 1/20 0.36
KCNH2 Q12809 1/20 0.36
NLRP3 Q96P20 1/20 0.36
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 1/20 0.35
PPARG P37231 2/20 0.35
APP P05067 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
SCHEMBL4524062 0.87 PTPN1 (0.55) PTPN1DHFRCYP2C9CYP2D6CYP3A4
SCHEMBL4526032 0.81 KCNH2 (0.44) PTPN1TLR8TLR7KCNH2NLRP3
SCHEMBL4559995 0.80 ALOX5AP (0.40) PTPN1DHFRNLRP3
SCHEMBL4513782 0.79 PTPN1 (0.66) PTPN1TLR8TLR7DHFRCYP2C9
SCHEMBL4514410 0.77 KCNH2 (0.40) TLR7DHFRKCNH2NLRP3
SCHEMBL4529385 0.77 PTPN1 (0.54) PTPN1DHFR
SCHEMBL4517419 0.77 PTPN1 (0.54) PTPN1DHFR
Trifluoroacetic Acid SCHEMBL4528727 0.76 KCNH2 (0.38) PTPN1TLR8TLR7CYP2C9KCNH2
SCHEMBL4515282 0.76 TLR8 (0.38) TLR8TLR7CYP2C9KCNH2NLRP3
SCHEMBL4525906 0.75 SLC6A3 (0.53) PTPN1TLR8TLR7DHFR

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 2 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 disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 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 2/4885TLR8 3037/4885TLR7 2015/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 PTPN1 2/4885TLR8 3037/4885TLR7 2015/4885

“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.