SCHEMBL4691690

SCHEMBL4691690

Nc1nc(N)c2c(cc(-c3cccc(F)c3)c3[nH]ccc32)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.45
DHFR P00374 8/20 0.41
SLC2A1 P11166 2/20 0.41
DCPS Q96C86 3/20 0.40
CHUK O15111 1/20 0.38
MAP4K4 O95819 4/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CDK2 P24941 2/20 0.36
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK9 P50750 1/20 0.36
CDC7 O00311 1/20 0.36
ROCK2 O75116 1/20 0.36
PIM1 P11309 1/20 0.36
PRKACA P17612 1/20 0.36
GSK3B P49841 1/20 0.36
HIPK2 Q9H2X6 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 SCHEMBL4692719 0.91 ADORA2A (0.41) ADORA2ADHFRSLC2A1DCPSCHUK
SCHEMBL4688094 0.88 DHFR (0.43) DHFRSLC2A1MAP4K4
SCHEMBL4690134 0.86 DHFR (0.39) ADORA2ADHFRSLC2A1DCPSMAP4K4
SCHEMBL4688831 0.86 DHFR (0.46) DHFRSLC2A1MAP4K4CDK9PIM1
SCHEMBL4691286 0.84 DHFR (0.49) ADORA2ADHFRSLC2A1DCPSMAP4K4
SCHEMBL14256042 0.84 DHFR (0.40) DHFRSLC2A1MAP4K4
SCHEMBL4690882 0.83 CDK8 (0.40) DHFRSLC2A1MAP4K4
SCHEMBL4688712 0.83 DHFR (0.42) DHFRSLC2A1
SCHEMBL4688096 0.82 DHFR (0.46) DHFRKDM4E
SCHEMBL4688072 0.81 PAX8 (0.46) DHFRMEN1MAPTKMT2A

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 ADORA2A 1770/4885DHFR 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.