SCHEMBL4693852

SCHEMBL4693852

CCn1ccc2c3c(N)nc(N)nc3cc(I)c21

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.47
SLC2A1 P11166 6/20 0.47
DHFR P00374 7/20 0.44

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
SCHEMBL4687879 0.85 SLC2A1 (0.44) F2RSLC2A1DHFR
SCHEMBL4691146 0.85 SLC2A1 (0.43) F2RSLC2A1DHFR
SCHEMBL4746831 0.84 SLC2A1 (0.64) F2RSLC2A1DHFR
SCHEMBL4691127 0.83 SLC2A1 (0.44) F2RSLC2A1DHFR
SCHEMBL4688232 0.82 DHFR (0.57) F2RSLC2A1DHFR
SCHEMBL4688835 0.82 F2R (0.40) F2RSLC2A1DHFR
SCHEMBL4687413 0.77 F2R (0.42) F2RSLC2A1DHFR
SCHEMBL4688845 0.77 SLC2A1 (0.48) F2RSLC2A1DHFR
SCHEMBL28678386 0.75 SLC2A1 (0.73) F2RSLC2A1DHFR
SCHEMBL22730044 0.74 CDK1 (0.44) F2RSLC2A1DHFR

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 F2R 3381/4885SLC2A1 271/4885DHFR 289/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C F2R 3648/4885SLC2A1 298/4885DHFR 339/4885

“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.