SCHEMBL4518692

SCHEMBL4518692

CNc1nc(N)nc2cc(-c3c(C)cccc3Cl)ccc12

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.55
HRH4 Q9H3N8 1/20 0.50
SRC P12931 3/20 0.49
MAP4K4 O95819 1/20 0.44
GRIA1 P42261 1/20 0.40
CACNG8 Q8WXS5 1/20 0.40
NLRP3 Q96P20 3/20 0.40
ABL1 P00519 2/20 0.39
DHFR P00374 1/20 0.39

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
SCHEMBL4526172 0.94 PTPN1 (0.59) PTPN1HRH4SRCMAP4K4NLRP3
SCHEMBL4533460 0.94 HRH4 (0.55) PTPN1HRH4SRCMAP4K4NLRP3
Trifluoroacetic Acid SCHEMBL4521116 0.83 PTPN1 (0.48) PTPN1HRH4SRCMAP4K4DHFR
SCHEMBL4532516 0.82 PTPN1 (0.61) PTPN1MAP4K4NLRP3DHFR
SCHEMBL4524950 0.82 PTPN1 (0.60) PTPN1MAP4K4DHFR
SCHEMBL4525236 0.82 HRH4 (0.45) PTPN1HRH4SRCNLRP3DHFR
SCHEMBL4529983 0.81 HRH4 (0.44) PTPN1HRH4SRCNLRP3DHFR
SCHEMBL4525916 0.81 PTPN1 (0.49) PTPN1HRH4SRCNLRP3DHFR
SCHEMBL4517519 0.81 PTPN1 (0.51) PTPN1HRH4SRCMAP4K4NLRP3
SCHEMBL4515183 0.81 PTPN1 (0.59) PTPN1DHFR

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 10 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
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP claimed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US claimed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 WO 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
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 WO 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.