SCHEMBL5401637

SCHEMBL5401637

Nc1nc2ccc(CC(C=O)c3cccc4ccccc34)cc2c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
QTRT1 Q9BXR0 1/20 0.47
TYMS P04818 5/20 0.45
DHFR P00374 11/20 0.42
FPGS Q05932 2/20 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
SCHEMBL8873096 0.85 QTRT1 (0.49) QTRT1TYMSDHFR
SCHEMBL8874179 0.75 DHFR (0.45) TYMSDHFRFPGS
SCHEMBL6912192 0.74 TYMS (0.50) QTRT1TYMSDHFR
SCHEMBL8872977 0.72 QTRT1 (0.49) QTRT1TYMSDHFRFPGS
SCHEMBL28932180 0.71 TYMS (0.56) QTRT1TYMSDHFR
SCHEMBL9954708 0.70 TYMS (0.50) QTRT1TYMSDHFRFPGS
SCHEMBL30518413 0.70 DHFR (0.70) TYMSDHFR
SCHEMBL103994 0.67 QTRT1 (1.00) QTRT1TYMS
SCHEMBL27812021 0.67 TYMS (0.46) QTRT1TYMSDHFRFPGS
SCHEMBL28787846 0.67 TYMS (0.54) QTRT1TYMSDHFRFPGS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594900-A2 COMPOSITIONS AND METHODS FOR THE DETECTION AND TREATMENT OF METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CANCERS Salmedix, Inc. (US) 2005-11-16 EP claimed
US-20040247600-A1 Compositions and methods for the detection and treatment of methylthioadenosine phosphorylase deficient cancers CEPHALON, INC. 2004-12-09 US claimed
WO-2004074325-A2 COMPOSITIONS AND METHODS FOR THE DETECTION AND TREATMENT OF METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CANCERS SALMEDIX, INC (US) 2004-09-02 WO claimed
US-20040127435-A1 Uses for inhibitors of inosine monophosphate dehydrogenase REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-07-01 US claimed
US-20040096436-A1 Method for treating cancer comprising administering to a subject in need of such treatment a therapeutically effective amount of a member selected from an inhibitor of a protein kinase, an enantiomer of such a compound, a prodrug of such a REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-05-20 US claimed
WO-2004012746-A2 NEW USES FOR INHIBITORS OF INOSINE MONOPHOSPHATE DEHYDROGENASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-02-12 WO claimed
WO-2004012769-A1 THERAPEUTIC INHIBITIONOF PROTEIN KINASES IN CANCER CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-02-12 WO claimed
US-7157551-B2 Compositions and methods for the detection and treatment of methylthioadenosine phosphorylase deficient cancers CEPHALON, INC. (US) 2007-01-02 US disclosed
EP-1594900-A2 COMPOSITIONS AND METHODS FOR THE DETECTION AND TREATMENT OF METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CANCERS Salmedix, Inc. (US) 2005-11-16 EP disclosed
US-20040247600-A1 Compositions and methods for the detection and treatment of methylthioadenosine phosphorylase deficient cancers CEPHALON, INC. 2004-12-09 US disclosed
WO-2004074325-A2 COMPOSITIONS AND METHODS FOR THE DETECTION AND TREATMENT OF METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CANCERS SALMEDIX, INC (US) 2004-09-02 WO disclosed
US-20040127435-A1 Uses for inhibitors of inosine monophosphate dehydrogenase REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-07-01 US disclosed
US-20040096436-A1 Method for treating cancer comprising administering to a subject in need of such treatment a therapeutically effective amount of a member selected from an inhibitor of a protein kinase, an enantiomer of such a compound, a prodrug of such a REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-05-20 US disclosed
WO-2004012746-A2 NEW USES FOR INHIBITORS OF INOSINE MONOPHOSPHATE DEHYDROGENASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-02-12 WO disclosed
WO-2004012769-A1 THERAPEUTIC INHIBITIONOF PROTEIN KINASES IN CANCER CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-02-12 WO 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-20040096436-A1 Method for treating cancer comprising administering to a subject in need of such treatment a therapeutically effective amount of a member selected from an inhibitor of a protein kinase, an enantiomer of such a compound, a prodrug of such a IMPDH1, IMPDH2, DCK QTRT1 1554/4885TYMS 70/4885DHFR 113/4885
US-20040127435-A1 Uses for inhibitors of inosine monophosphate dehydrogenase IMPDH1, IMPDH2, IMPA1 QTRT1 707/4885TYMS 54/4885DHFR 77/4885

“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.