SCHEMBL4691472

SCHEMBL4691472

Cn1ccc2c3c(N)nc(N)nc3cc(-c3ccc(Cl)cc3Cl)c21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.48
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PTPN1 P18031 1/20 0.37
F2R P25116 2/20 0.36
HSD11B1 P28845 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 SCHEMBL4691132 0.90 DHFR (0.40) DHFRHSP90AA1HSP90AB1DPP4DPP8
SCHEMBL4690589 0.87 DHFR (0.49) DHFRHSP90AA1HSP90AB1DPP4DPP8
SCHEMBL4691145 0.86 DHFR (0.50) DHFRHSP90AB1SMN1; SMN2F2R
SCHEMBL4688000 0.83 DHFR (0.50) DHFRF2R
SCHEMBL4692385 0.83 DHFR (0.47) DHFRPTPN1F2R
SCHEMBL4689899 0.83 MAP4K4 (0.49) DHFR
SCHEMBL4688857 0.81 DHFR (0.48) DHFRF2R
SCHEMBL4689075 0.81 DHFR (0.45) DHFRF2R
SCHEMBL4688843 0.79 DHFR (0.48) DHFRF2R
SCHEMBL4687880 0.79 DHFR (0.48) DHFRDPP4F2R

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 claimed
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 339/4885HSP90AA1 2234/4885HSP90AB1 2444/4885

“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.