SCHEMBL5507908

SCHEMBL5507908

Cc1ccc(-c2ccc3c(N)nc(N)nc3c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHFR P00374 13/20 0.75
MAP4K4 O95819 1/20 0.60
ADORA2A P29274 1/20 0.49
HRH4 Q9H3N8 1/20 0.48
HSP90AB1 P08238 1/20 0.48
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP1B1 Q16678 1/20 0.47
DCPS Q96C86 1/20 0.47

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
SCHEMBL8512974 0.86 DHFR (1.00) DHFRMAP4K4HRH4DCPS
SCHEMBL12814361 0.85 HRH4 (0.58) DHFRMAP4K4HRH4DCPS
SCHEMBL9605513 0.84 DHFR (1.00) DHFRMAP4K4ADORA2AHRH4DCPS
SCHEMBL4523803 0.83 DHFR (0.58) DHFRMAP4K4
SCHEMBL13888558 0.81 DHFR (0.93) DHFRMAP4K4ADORA2AHRH4DCPS
SCHEMBL4510941 0.80 DHFR (0.64) DHFRMAP4K4HRH4DCPS
SCHEMBL28019351 0.79 DHFR (0.58) DHFRMAP4K4ADORA2AHSP90AB1
SCHEMBL4516307 0.78 DHFR (0.73) DHFRMAP4K4ADORA2ADCPS
SCHEMBL12575926 0.76 HSP90AB1 (0.55) DHFRADORA2AHRH4HSP90AB1CYP1A1
SCHEMBL15587285 0.76 MAP4K4 (1.00) DHFRMAP4K4

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 3 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 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 (1 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-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 DHFR 2071/4885MAP4K4 639/4885ADORA2A 2385/4885

“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.