SCHEMBL4690295

SCHEMBL4690295

Nc1nc(N)c2c(cc(-c3cccs3)c3c2ccn3CC(=O)OC(=O)C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.37
SLC2A1 P11166 5/20 0.35
PAX8 Q06710 2/20 0.33
GRIN2B Q13224 1/20 0.33
F2R P25116 1/20 0.33

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 SCHEMBL4690293 0.88 KDM4E (0.39) DHFRSLC2A1PAX8
SCHEMBL4694078 0.85 KDM4E (0.42) SLC2A1PAX8F2R
SCHEMBL4691192 0.84 GRIN1 (0.36) SLC2A1PAX8GRIN2B
SCHEMBL4687413 0.81 F2R (0.42) DHFRSLC2A1F2R
Trifluoroacetic Acid SCHEMBL4693903 0.76 DHFR (0.37) DHFRPAX8
Trifluoroacetic Acid SCHEMBL4710094 0.76 ALDH1A1 (0.36) DHFRPAX8GRIN2B
Trifluoroacetic Acid SCHEMBL4706275 0.76 ALDH1A1 (0.36) DHFRGRIN2B
Trifluoroacetic Acid SCHEMBL4707306 0.75 NLRP3 (0.36) DHFR
SCHEMBL4687890 0.74 DHFR (0.49) DHFRSLC2A1F2R
SCHEMBL4708062 0.73 GBA1 (0.43) DHFR

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 4 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 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-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 DHFR 289/4885SLC2A1 271/4885PAX8 1715/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C DHFR 339/4885SLC2A1 298/4885PAX8 2586/4885

“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.