SCHEMBL4691127

SCHEMBL4691127

Nc1nc(N)c2c(cc(I)c3c2ccn3CC(=O)O)n1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 8/20 0.44
PAX8 Q06710 2/20 0.41
F2R P25116 2/20 0.40
DHFR P00374 1/20 0.38

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
SCHEMBL4688835 0.85 F2R (0.40) SLC2A1PAX8F2RDHFR
SCHEMBL4691146 0.83 SLC2A1 (0.43) SLC2A1F2RDHFR
SCHEMBL4693852 0.83 F2R (0.47) SLC2A1F2RDHFR
SCHEMBL4746831 0.82 SLC2A1 (0.64) SLC2A1F2RDHFR
SCHEMBL5773430 0.80 CSNK2A2 (0.43) SLC2A1PAX8F2R
SCHEMBL4694078 0.79 KDM4E (0.42) SLC2A1PAX8F2R
SCHEMBL4687879 0.79 SLC2A1 (0.44) SLC2A1F2RDHFR
SCHEMBL4689868 0.77 SLC2A1 (0.41) SLC2A1PAX8
SCHEMBL4688845 0.76 SLC2A1 (0.48) SLC2A1PAX8F2RDHFR
SCHEMBL4688232 0.76 DHFR (0.57) SLC2A1F2RDHFR

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
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
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
CN-1791603-A Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN LA ROCHE (CH) 2006-06-21 CN 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 271/4885PAX8 1715/4885F2R 3381/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C SLC2A1 298/4885PAX8 2586/4885F2R 3648/4885

“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.