SCHEMBL4524726

SCHEMBL4524726

CNc1nc(N)nc2cc(-c3cccc(C(C)C)c3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHFR P00374 6/20 0.46
MAP4K4 O95819 1/20 0.45
TARS1 P26639 1/20 0.42
APP P05067 1/20 0.42
NLRP3 Q96P20 2/20 0.40
TRIM58 Q8NG06 1/20 0.40
HRH4 Q9H3N8 2/20 0.39
PTPN1 P18031 4/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
NUDT1 P36639 1/20 0.36

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 SCHEMBL4526781 0.89 DHFR (0.43) DHFRMAP4K4TARS1APPTRIM58
SCHEMBL4532712 0.84 DHFR (0.61) DHFRMAP4K4APPNLRP3TRIM58
SCHEMBL4528809 0.84 DHFR (0.65) DHFRMAP4K4APPNLRP3TRIM58
SCHEMBL4532427 0.80 DHFR (0.46) DHFRMAP4K4TARS1NLRP3TRIM58
SCHEMBL4524037 0.79 DHFR (0.54) DHFRAPPNLRP3PTPN1
SCHEMBL4533460 0.79 HRH4 (0.55) DHFRMAP4K4APPNLRP3HRH4
SCHEMBL4521004 0.79 ALDH1A1 (0.59) DHFRMAP4K4NLRP3HRH4
SCHEMBL4511008 0.79 DHFR (0.51) DHFRAPPNLRP3PTPN1
SCHEMBL4522624 0.79 DHFR (0.45) DHFRMAP4K4TARS1APPNLRP3
SCHEMBL4519688 0.77 DHFR (0.52) DHFRMAP4K4APPNLRP3TRIM58

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 2071/4885MAP4K4 639/4885TARS1 1025/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 DHFR 2071/4885MAP4K4 639/4885TARS1 1025/4885

“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.