SCHEMBL4688329

SCHEMBL4688329

COc1ccc(C(C)C)cc1-c1cc2nc(N)nc(N)c2c2ccn(C)c12

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHFR P00374 13/20 0.43
F2R P25116 1/20 0.41
SLC2A1 P11166 7/20 0.40
DCPS Q96C86 1/20 0.38
USP7 Q93009 1/20 0.36

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 SCHEMBL4691131 0.91 DHFR (0.36) DHFRF2RSLC2A1
SCHEMBL4687978 0.86 DHFR (0.57) DHFRSLC2A1
SCHEMBL4687390 0.85 DHFR (0.44) DHFRSLC2A1DCPS
SCHEMBL4692086 0.84 DHFR (0.51) DHFRSLC2A1DCPS
SCHEMBL4690837 0.82 DHFR (0.45) DHFRF2RSLC2A1
SCHEMBL4688037 0.82 DHFR (0.58) DHFRSLC2A1DCPS
SCHEMBL4688212 0.80 DHFR (0.47) DHFRSLC2A1
SCHEMBL4691114 0.80 DHFR (0.56) DHFRSLC2A1DCPS
SCHEMBL4688095 0.80 DCPS (0.50) DHFRSLC2A1DCPS
SCHEMBL4688196 0.78 DHFR (0.48) DHFRF2RSLC2A1DCPS

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 7 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
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

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 DHFR 339/4885F2R 3648/4885SLC2A1 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.