SCHEMBL4525495

SCHEMBL4525495

CNc1nc(N)nc2cc(-c3ccc(SC)cc3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.47
NLRP3 Q96P20 2/20 0.43
TRIM58 Q8NG06 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HRH4 Q9H3N8 2/20 0.39
MAP4K4 O95819 1/20 0.39
NOS1 P29475 1/20 0.38
PTPN1 P18031 3/20 0.37
CCNT1 O60563 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 1/20 0.37
CSF1R P07333 1/20 0.37
SYK P43405 1/20 0.37

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 SCHEMBL4529413 0.89 DHFR (0.40) DHFRNLRP3TRIM58KDM4ELMNA
SCHEMBL4532427 0.88 DHFR (0.46) DHFRNLRP3TRIM58KDM4ELMNA
SCHEMBL4523825 0.85 NLRP3 (0.46) DHFRNLRP3TRIM58HRH4MAP4K4
SCHEMBL4528809 0.84 DHFR (0.65) DHFRNLRP3TRIM58HRH4MAP4K4
SCHEMBL4532712 0.82 DHFR (0.61) DHFRNLRP3TRIM58HRH4MAP4K4
SCHEMBL4529240 0.80 PTPN1 (0.53) DHFRNLRP3KDM4ELMNAHRH4
SCHEMBL4524948 0.79 DHFR (0.48) DHFRNLRP3KDM4ELMNAPTPN1
SCHEMBL4524783 0.79 MAP4K4 (0.52) DHFRNLRP3TRIM58HRH4MAP4K4
Trifluoroacetic Acid SCHEMBL4521203 0.79 DHFR (0.43) DHFRNLRP3TRIM58KDM4ELMNA
SCHEMBL4355863 0.78 CDK2 (0.40) DHFRTRIM58KDM4ELMNACCNT1

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 2071/4885NLRP3 618/4885TRIM58 2337/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 DHFR 2071/4885NLRP3 618/4885TRIM58 2337/4885

“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.