SCHEMBL4705709

SCHEMBL4705709

CNc1nc(N)nc2cc(-c3cc(OC)cs3)c3c(ccn3C)c12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.33
DHFR P00374 3/20 0.32
SLC2A1 P11166 1/20 0.31
PTPN1 P18031 1/20 0.30

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
SCHEMBL4706005 0.88 DHFR (0.44) DHFRSLC2A1
SCHEMBL4706351 0.84 DHFR (0.32) DHFRSLC2A1
SCHEMBL4706916 0.83 PDGFRB (0.33) APPDHFRPTPN1
SCHEMBL4705692 0.82 ADORA2A (0.38) DHFR
SCHEMBL4705961 0.81 DHFR (0.35) DHFRPTPN1
SCHEMBL4707600 0.79 PTPN1 (0.47) APPDHFRSLC2A1PTPN1
SCHEMBL4706514 0.76 PTPN1 (0.38) APPDHFRPTPN1
SCHEMBL4707419 0.75 PTPN1 (0.39) APPPTPN1
Trifluoroacetic Acid SCHEMBL4707814 0.74 KMT2A (0.37) DHFRPTPN1
SCHEMBL4707075 0.74 DHFR (0.40) APPDHFRPTPN1

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 8 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 claimed
US-7226915-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-06-05 US claimed
US-20040229890-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN JOSEPH (US) 2004-11-18 US claimed
EP-1633754-B1 DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-06-11 EP disclosed
US-7226915-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-06-05 US disclosed
US-7226915-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-06-05 US disclosed
US-7226915-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-06-05 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 (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-20040229890-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, PTPRO, PTPN18 APP 3706/4885DHFR 531/4885SLC2A1 293/4885

“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.