SCHEMBL4688232

SCHEMBL4688232

Cn1ccc2c3c(N)nc(N)nc3cc(I)c21

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHFR P00374 8/20 0.57
SLC2A1 P11166 10/20 0.41
F2R P25116 2/20 0.40

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
SCHEMBL14363477 0.84 DHFR (0.58) DHFRSLC2A1F2R
SCHEMBL4706910 0.84 DHFR (0.40) DHFR
SCHEMBL4707075 0.84 DHFR (0.40) DHFR
SCHEMBL4693852 0.82 F2R (0.47) DHFRSLC2A1F2R
SCHEMBL4687879 0.81 SLC2A1 (0.44) DHFRSLC2A1F2R
SCHEMBL28757351 0.81 DHFR (0.38) DHFRSLC2A1
SCHEMBL27653841 0.81 NLRP3 (0.42) DHFR
SCHEMBL4691146 0.80 SLC2A1 (0.43) DHFRSLC2A1F2R
SCHEMBL4688689 0.78 DHFR (0.49) DHFRSLC2A1F2R
SCHEMBL27633423 0.78 DHFR (0.36) DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633754-B1 DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-06-11 EP disclosed
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-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
CN-100334088-C Diaminopyrroloquinazoline compounds as protein tyrosine phosphatase inhibitors HOFFMANN LA ROCHE CO LTD (CH) 2007-08-29 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
US-7262297-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-28 US disclosed
US-7226915-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-06-05 US disclosed
CN-1791603-A Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN LA ROCHE (CH) 2006-06-21 CN disclosed
CN-1791604-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
US-20040229890-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN JOSEPH (US) 2004-11-18 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 (3 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 DHFR 289/4885SLC2A1 271/4885F2R 3381/4885
US-20040229890-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, PTPRO, PTPN18 DHFR 531/4885SLC2A1 293/4885F2R 4251/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C DHFR 339/4885SLC2A1 298/4885F2R 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.