SCHEMBL4691075

SCHEMBL4691075

Nc1nc(N)c2c(cc(-c3cccc(CC(=O)O)c3)c3[nH]ccc32)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.48
CFD P00746 2/20 0.41
DHFR P00374 7/20 0.41
PLA2G10 O15496 1/20 0.38
PLA2G2A P14555 1/20 0.38
BTK Q06187 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
F7 P08709 1/20 0.36
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PAX8 Q06710 1/20 0.35

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
SCHEMBL4690844 0.90 PLA2G10 (0.40) CDK2CFDDHFRPLA2G10PLA2G2A
SCHEMBL4688833 0.89 SGK1 (0.37) CDK2DHFRIKBKBCHUK
SCHEMBL4688094 0.81 DHFR (0.43) DHFR
Trifluoroacetic Acid SCHEMBL4688811 0.81 DHFR (0.40) DHFRBTK
SCHEMBL4691250 0.80 MAP4K4 (0.42) DHFRIKBKBCHUK
SCHEMBL4691286 0.80 DHFR (0.49) DHFR
Trifluoroacetic Acid SCHEMBL4692719 0.80 ADORA2A (0.41) DHFRCHUK
SCHEMBL14256042 0.80 DHFR (0.40) DHFRBTK
SCHEMBL4688831 0.79 DHFR (0.46) DHFR
SCHEMBL4691690 0.79 ADORA2A (0.45) CDK2DHFRCHUK

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100344629-C Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN LA ROCHE (CH) 2007-10-24 CN claimed
US-7262297-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-28 US claimed
CN-1791603-A Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN LA ROCHE (CH) 2006-06-21 CN claimed
US-20040235872-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN JOSEPH (US) 2004-11-25 US 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-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
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
US-20040235872-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN JOSEPH (US) 2004-11-25 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 (2 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-20040235872-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, PPP5C, PTP4A2 CDK2 213/4885CFD 4415/4885DHFR 289/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C CDK2 342/4885CFD 4470/4885DHFR 339/4885

“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.