SCHEMBL4692219

SCHEMBL4692219

Cn1ccc2c3c(N)nc(N)nc3cc(-c3cccc(F)c3)c21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHFR P00374 8/20 0.47
SLC2A1 P11166 5/20 0.47
ADORA2A P29274 1/20 0.43
DCPS Q96C86 2/20 0.39
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
MAP4K4 O95819 1/20 0.36

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 SCHEMBL4689915 0.91 SLC2A1 (0.41) DHFRSLC2A1ADORA2ADCPS
SCHEMBL4690814 0.88 DHFR (0.49) DHFRSLC2A1DCPS
SCHEMBL4688080 0.87 DHFR (0.48) DHFRSLC2A1MAP4K4
SCHEMBL4689696 0.87 DHFR (0.50) DHFRSLC2A1ADORA2A
SCHEMBL4692195 0.86 DHFR (0.47) DHFRSLC2A1DCPSPIK3CAMAP4K4
SCHEMBL4689899 0.86 MAP4K4 (0.49) DHFRSLC2A1DCPSMAP4K4
SCHEMBL4687238 0.85 DHFR (0.50) DHFRSLC2A1DCPS
SCHEMBL4690837 0.84 DHFR (0.45) DHFRSLC2A1
SCHEMBL4688689 0.84 DHFR (0.49) DHFRSLC2A1DCPS
SCHEMBL4691172 0.84 DHFR (0.44) DHFRSLC2A1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628979-B1 DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-03-19 EP claimed
EP-1628979-B1 DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
EP-1628979-B1 DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-11-22 US disclosed
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-11-22 US disclosed
US-7262297-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-28 US disclosed
US-7262297-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-28 US 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-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C DHFR 339/4885SLC2A1 298/4885ADORA2A 1770/4885

“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.