SCHEMBL4694078

SCHEMBL4694078

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC2A1 P11166 6/20 0.40
ALDH1A1 P00352 1/20 0.39
PAX8 Q06710 1/20 0.39
ADORA2A P29274 1/20 0.39
F2R P25116 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 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 SCHEMBL4690293 0.94 KDM4E (0.39) KDM4EPOLBTDP1L3MBTL1SLC2A1
SCHEMBL4687413 0.85 F2R (0.42) SLC2A1ADORA2AF2RNPC1RAB9A
SCHEMBL4690295 0.85 DHFR (0.37) SLC2A1PAX8F2R
SCHEMBL4691127 0.79 SLC2A1 (0.44) SLC2A1PAX8F2R
SCHEMBL4687890 0.79 DHFR (0.49) SLC2A1ADORA2AF2RNPC1RAB9A
SCHEMBL4689868 0.79 SLC2A1 (0.41) SLC2A1PAX8ADORA2A
SCHEMBL5794868 0.78 KDM4E (0.37) KDM4EPOLBTDP1L3MBTL1SLC2A1
SCHEMBL4687870 0.77 ADORA2A (0.38) KDM4EPOLBSLC2A1ALDH1A1ADORA2A
Trifluoroacetic Acid SCHEMBL4691189 0.77 SLC2A1 (0.39) SLC2A1PAX8ADORA2A
Trifluoroacetic Acid SCHEMBL4693903 0.76 DHFR (0.37) KDM4EPOLBL3MBTL1ALDH1A1PAX8

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 KDM4E 570/4885POLB 3711/4885TDP1 319/4885

“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.