SCHEMBL4510977

SCHEMBL4510977

CNc1nc(N)nc2cc(-c3ccc(COC(=O)C(F)(F)F)c(N4CCCC4)c3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.40
HRH4 Q9H3N8 6/20 0.36
DHFR P00374 1/20 0.34
NLRP3 Q96P20 2/20 0.32
HRH1 P35367 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
CDC7 O00311 2/20 0.32
ROCK2 O75116 1/20 0.32
MAP4K4 O95819 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
EGLN1 Q9GZT9 2/20 0.31
LRRK2 Q5S007 1/20 0.31
CDK9 P50750 1/20 0.31

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 SCHEMBL4510973 0.86 PTPN1 (0.41) PTPN1HRH4DHFRNLRP3HRH1
SCHEMBL4526712 0.82 PTPN1 (0.45) PTPN1HRH4DHFRNLRP3HRH1
SCHEMBL4527904 0.79 DHFR (0.44) PTPN1HRH4DHFRNLRP3MAP4K4
SCHEMBL4529133 0.76 PTPN1 (0.43) PTPN1HRH4DHFRNLRP3HRH1
Trifluoroacetic Acid SCHEMBL4522538 0.75 PTPN1 (0.58) PTPN1HRH4DHFR
SCHEMBL4533818 0.73 MAP4K4 (0.43) HRH4DHFRMAP4K4
SCHEMBL4527626 0.72 PTPN1 (0.68) PTPN1HRH4NLRP3
Trifluoroacetic Acid SCHEMBL4525618 0.71 DHFR (0.52) PTPN1HRH4DHFRNLRP3MAP4K4
SCHEMBL4523209 0.70 PTPN1 (0.67) PTPN1HRH4NLRP3HRH1HRH3
Trifluoroacetic Acid SCHEMBL4528549 0.69 DHFR (0.50) PTPN1HRH4DHFRMAP4K4CDK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP 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
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 3834/4885DHFR 2071/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 PTPN1 2/4885HRH4 3834/4885DHFR 2071/4885

“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.