SCHEMBL4690589

SCHEMBL4690589

Cn1ccc2c3c(N)nc(N)nc3cc(-c3ccccc3Cl)c21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHFR P00374 6/20 0.49
SLC2A1 P11166 4/20 0.40
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 1/20 0.38
HSD11B1 P28845 1/20 0.38
F2R P25116 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 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
SCHEMBL4692385 0.91 DHFR (0.47) DHFRSLC2A1F2R
Trifluoroacetic Acid SCHEMBL4692041 0.90 DHFR (0.41) DHFRSLC2A1DPP4DPP8
SCHEMBL4691472 0.87 DHFR (0.48) DHFRHSP90AA1HSP90AB1HSD11B1F2R
SCHEMBL4687414 0.87 DHFR (0.55) DHFRSLC2A1F2R
SCHEMBL4688098 0.86 DHFR (0.49) DHFRSLC2A1F2R
SCHEMBL4688650 0.86 DHFR (0.49) DHFRSLC2A1
SCHEMBL4692086 0.84 DHFR (0.51) DHFRSLC2A1HSP90AA1HSP90AB1
SCHEMBL4687979 0.83 DHFR (0.46) DHFRSLC2A1HSD11B1
SCHEMBL4687900 0.82 DHFR (0.48) DHFRSLC2A1F2R
SCHEMBL4688857 0.82 DHFR (0.48) DHFRSLC2A1F2RHRH4

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 298/4885HSP90AA1 2234/4885

“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.