SCHEMBL4691391

SCHEMBL4691391

Nc1nc(N)c2c(cc(-c3ccccc3C(F)(F)F)c3c2ccn3CCOC(=O)C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 8/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
PAX8 Q06710 1/20 0.34
PTPN1 P18031 1/20 0.33

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
SCHEMBL4710085 0.89 GRIN2B (0.38) GRIN1GRIN2BSCN5ASCN9APTPN1
Trifluoroacetic Acid SCHEMBL4691388 0.88 SCN5A (0.38) SLC2A1GRIN1GRIN2BSCN5ASCN9A
SCHEMBL4688933 0.87 SLC2A1 (0.40) SLC2A1SCN5ASCN9APTPN1
SCHEMBL4691192 0.87 GRIN1 (0.36) SLC2A1GRIN1GRIN2BPAX8PTPN1
Trifluoroacetic Acid SCHEMBL4690935 0.87 SLC2A1 (0.39) SLC2A1GRIN1GRIN2BPAX8PTPN1
SCHEMBL4689868 0.85 SLC2A1 (0.41) SLC2A1GRIN1GRIN2BPAX8PTPN1
Trifluoroacetic Acid SCHEMBL4691189 0.85 SLC2A1 (0.39) SLC2A1GRIN1GRIN2BPAX8PTPN1
SCHEMBL4706831 0.84 PTPN1 (0.41) SCN5ASCN9APTPN1
SCHEMBL4688280 0.84 SLC2A1 (0.42) SLC2A1PAX8
SCHEMBL4693979 0.83 SLC2A1 (0.35) SLC2A1GRIN1GRIN2BPAX8PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262297-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-28 US claimed
US-20040235872-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN JOSEPH (US) 2004-11-25 US claimed
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-7262297-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-28 US disclosed
US-20040235872-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN JOSEPH (US) 2004-11-25 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 (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-20040235872-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, PPP5C, PTP4A2 SLC2A1 271/4885GRIN1 2631/4885GRIN2B 3385/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C SLC2A1 298/4885GRIN1 2853/4885GRIN2B 3532/4885

“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.