SCHEMBL4688095

SCHEMBL4688095

COc1cccc(OC)c1-c1cc2nc(N)nc(N)c2c2ccn(C)c12

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 1/20 0.50
DHFR P00374 14/20 0.47
SLC2A1 P11166 3/20 0.43
KCNH2 Q12809 1/20 0.41
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39

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 SCHEMBL4688945 0.90 DCPS (0.41) DCPSDHFRSLC2A1KCNH2
SCHEMBL4692086 0.89 DHFR (0.51) DCPSDHFRSLC2A1KCNH2HSP90AA1
SCHEMBL4691114 0.86 DHFR (0.56) DCPSDHFRSLC2A1KCNH2
SCHEMBL4688595 0.86 DHFR (0.51) DHFRSLC2A1
SCHEMBL4688037 0.84 DHFR (0.58) DCPSDHFRSLC2A1
SCHEMBL4688689 0.84 DHFR (0.49) DCPSDHFRSLC2A1KCNH2
SCHEMBL4687390 0.84 DHFR (0.44) DCPSDHFRSLC2A1
SCHEMBL4688196 0.83 DHFR (0.48) DCPSDHFRSLC2A1
SCHEMBL4688000 0.82 DHFR (0.50) DHFRSLC2A1
SCHEMBL4687978 0.82 DHFR (0.57) DHFRSLC2A1

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 9 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
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
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 DCPS 220/4885DHFR 339/4885SLC2A1 298/4885

“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.