SCHEMBL4510941

SCHEMBL4510941

Cc1cccc(C)c1-c1ccc2c(N)nc(N)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHFR P00374 14/20 0.64
HRH4 Q9H3N8 1/20 0.64
MAP4K4 O95819 1/20 0.61
SRC P12931 2/20 0.60
DCPS Q96C86 1/20 0.49

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
SCHEMBL4530856 0.86 MAP4K4 (0.68) DHFRHRH4MAP4K4SRCDCPS
SCHEMBL4516307 0.84 DHFR (0.73) DHFRMAP4K4DCPS
SCHEMBL4532538 0.83 DHFR (0.62) DHFRHRH4MAP4K4SRCDCPS
SCHEMBL4522332 0.82 HRH4 (0.55) DHFRHRH4MAP4K4SRC
SCHEMBL4533460 0.82 HRH4 (0.55) DHFRHRH4MAP4K4SRC
SCHEMBL4532365 0.82 DHFR (0.73) DHFRHRH4MAP4K4DCPS
SCHEMBL5507908 0.80 DHFR (0.75) DHFRHRH4MAP4K4DCPS
SCHEMBL13888558 0.79 DHFR (0.93) DHFRHRH4MAP4K4DCPS
SCHEMBL4511363 0.79 NLRP3 (0.61) DHFRHRH4SRC
SCHEMBL4524936 0.79 HRH4 (0.52) DHFRHRH4MAP4K4SRC

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 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 DHFR 2071/4885HRH4 3834/4885MAP4K4 639/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 DHFR 2071/4885HRH4 3834/4885MAP4K4 639/4885

“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.