SCHEMBL4528835

SCHEMBL4528835

CNc1nc(N)nc2cc(-c3c(C)cccc3[N+](=O)[O-])ccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.50
HRH4 Q9H3N8 1/20 0.43
SRC P12931 1/20 0.41
GALR2 O43603 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NLRP3 Q96P20 2/20 0.37
DHFR P00374 2/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
MAPT P10636 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 SCHEMBL4519087 0.91 PTPN1 (0.43) PTPN1HRH4SRCGALR2LMNA
SCHEMBL4533460 0.86 HRH4 (0.55) PTPN1HRH4SRCNLRP3DHFR
SCHEMBL4518692 0.80 PTPN1 (0.55) PTPN1HRH4SRCNLRP3DHFR
SCHEMBL4529983 0.79 HRH4 (0.44) PTPN1HRH4SRCNLRP3DHFR
SCHEMBL4525916 0.79 PTPN1 (0.49) PTPN1HRH4SRCNLRP3DHFR
SCHEMBL4526220 0.78 ALOX5AP (0.44) PTPN1HRH4SRCNLRP3DHFR
SCHEMBL4525236 0.77 HRH4 (0.45) PTPN1HRH4SRCNLRP3DHFR
SCHEMBL4516605 0.77 HRH4 (0.43) PTPN1HRH4SRCALDH1A1NLRP3
SCHEMBL4527358 0.76 CYP1A2 (0.44) PTPN1HRH4SRCLMNANLRP3
SCHEMBL4517519 0.76 PTPN1 (0.51) PTPN1HRH4SRCNLRP3DHFR

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 2/4885HRH4 3834/4885SRC 108/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 PTPN1 2/4885HRH4 3834/4885SRC 108/4885

“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.