SCHEMBL4516307

SCHEMBL4516307

Cc1ccccc1-c1ccc2c(N)nc(N)nc2c1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 15/20 0.73
LCK P06239 1/20 0.57
KDR P35968 1/20 0.57
JAK3 P52333 1/20 0.57
MAPK14 Q16539 1/20 0.57
MAP4K4 O95819 1/20 0.55
CTSD P07339 1/20 0.52
BACE1 P56817 1/20 0.52
ADORA2A P29274 1/20 0.51
DCPS Q96C86 1/20 0.50

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
SCHEMBL28019352 0.87 DHFR (0.60) DHFRLCKKDRJAK3MAPK14
SCHEMBL4510941 0.84 DHFR (0.64) DHFRMAP4K4DCPS
SCHEMBL8512311 0.84 DHFR (1.00) DHFRMAP4K4ADORA2ADCPS
SCHEMBL4523803 0.84 DHFR (0.58) DHFRMAP4K4
SCHEMBL4524257 0.83 CYP1A2 (0.53) DHFRLCKKDRJAK3MAPK14
SCHEMBL4515183 0.83 PTPN1 (0.59) DHFRLCKKDRJAK3MAPK14
SCHEMBL5502485 0.81 DHFR (0.68) DHFRMAP4K4DCPS
SCHEMBL4528737 0.81 DHFR (0.68) DHFRMAP4K4DCPS
SCHEMBL8509933 0.81 DHFR (1.00) DHFRMAP4K4ADORA2ADCPS
SCHEMBL4518205 0.81 DHFR (0.68) DHFRMAP4K4DCPS

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 2071/4885LCK 80/4885KDR 2310/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 DHFR 2071/4885LCK 80/4885KDR 2310/4885

“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.