SCHEMBL4688933

SCHEMBL4688933

Nc1nc(N)c2c(cc(-c3ccccc3C(F)(F)F)c3c2ccn3CCO)n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 8/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
PTPN1 P18031 1/20 0.38
F2R P25116 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 SCHEMBL4691388 0.94 SCN5A (0.38) SLC2A1SCN5ASCN9APTPN1
SCHEMBL4706331 0.88 CYP1A2 (0.39) SCN5ASCN9APTPN1
SCHEMBL4691391 0.87 SLC2A1 (0.36) SLC2A1SCN5ASCN9APTPN1
SCHEMBL4705995 0.87 PTPN1 (0.51) SCN5ASCN9APTPN1
SCHEMBL4689868 0.86 SLC2A1 (0.41) SLC2A1PTPN1
SCHEMBL4688280 0.85 SLC2A1 (0.42) SLC2A1F2R
SCHEMBL4687979 0.84 DHFR (0.46) SLC2A1PTPN1
Trifluoroacetic Acid SCHEMBL4691189 0.84 SLC2A1 (0.39) SLC2A1PTPN1
Trifluoroacetic Acid SCHEMBL4710084 0.83 GRIN2B (0.38) SCN5ASCN9APTPN1
Trifluoroacetic Acid SCHEMBL4706828 0.83 PTPN1 (0.47) SCN5ASCN9APTPN1

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 10 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
CN-100344629-C Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN LA ROCHE (CH) 2007-10-24 CN claimed
CN-1791603-A Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN LA ROCHE (CH) 2006-06-21 CN 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-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-11-22 US disclosed
CN-100344629-C Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN LA ROCHE (CH) 2007-10-24 CN 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
CN-1791603-A Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN LA ROCHE (CH) 2006-06-21 CN 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 SLC2A1 298/4885SCN5A 740/4885SCN9A 4018/4885

“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.