SCHEMBL4688696

SCHEMBL4688696

CCOc1ccc(-c2cc3nc(N)nc(N)c3c3ccn(C)c23)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.53
DHFR P00374 10/20 0.46
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC2A1 P11166 5/20 0.39
TDP1 Q9NUW8 1/20 0.38
PIK3CD O00329 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
HCK P08631 1/20 0.38
SRC P12931 1/20 0.38
KDR P35968 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
EPHB4 P54760 1/20 0.38
PRKDC P78527 1/20 0.38

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 SCHEMBL4690602 0.91 F2R (0.45) F2RDHFRMAPTMEN1KMT2A
SCHEMBL4688196 0.89 DHFR (0.48) F2RDHFRSLC2A1
SCHEMBL4688623 0.86 F2R (0.51) F2RDHFRSLC2A1
SCHEMBL4687792 0.86 DHFR (0.45) F2RDHFRSLC2A1
SCHEMBL4688392 0.85 DHFR (0.51) F2RDHFRMEN1KMT2ASLC2A1
SCHEMBL4688376 0.84 DHFR (0.50) F2RDHFRSLC2A1
SCHEMBL4691145 0.84 DHFR (0.50) F2RDHFRMEN1KMT2ASLC2A1
SCHEMBL4688157 0.84 DHFR (0.50) F2RDHFRSLC2A1
SCHEMBL4689696 0.84 DHFR (0.50) F2RDHFRSLC2A1
SCHEMBL4687238 0.84 DHFR (0.50) DHFRSLC2A1

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 F2R 3648/4885DHFR 339/4885MAPT 2382/4885

“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.