SCHEMBL4528809

SCHEMBL4528809

CNc1nc(N)nc2cc(-c3ccccc3)ccc12

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHFR P00374 7/20 0.65
TRIM58 Q8NG06 1/20 0.56
HRH4 Q9H3N8 1/20 0.53
MAP4K4 O95819 1/20 0.48
APP P05067 3/20 0.48
NLRP3 Q96P20 1/20 0.45
CYP1A1 P04798 2/20 0.44
CYP1A2 P05177 2/20 0.44
PTPN1 P18031 3/20 0.44

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
SCHEMBL4532712 0.97 DHFR (0.61) DHFRTRIM58HRH4MAP4K4APP
SCHEMBL4519688 0.90 DHFR (0.52) DHFRTRIM58HRH4MAP4K4APP
Trifluoroacetic Acid SCHEMBL4525618 0.89 DHFR (0.52) DHFRTRIM58HRH4MAP4K4APP
Trifluoroacetic Acid SCHEMBL4528549 0.87 DHFR (0.50) DHFRTRIM58HRH4MAP4K4APP
SCHEMBL4525495 0.84 DHFR (0.47) DHFRTRIM58HRH4MAP4K4NLRP3
SCHEMBL4532427 0.84 DHFR (0.46) DHFRTRIM58HRH4MAP4K4NLRP3
SCHEMBL4524726 0.84 DHFR (0.46) DHFRTRIM58HRH4MAP4K4APP
SCHEMBL4515183 0.83 PTPN1 (0.59) DHFRCYP1A2PTPN1
SCHEMBL4521004 0.83 ALDH1A1 (0.59) DHFRHRH4MAP4K4NLRP3CYP1A2
SCHEMBL4522624 0.83 DHFR (0.45) DHFRMAP4K4APPNLRP3

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 DHFR 2071/4885TRIM58 2337/4885HRH4 3834/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 DHFR 2071/4885TRIM58 2337/4885HRH4 3834/4885

“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.