SCHEMBL10258593

SCHEMBL10258593

CCC(=O)/C(=N\Nc1ccncc1)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MDM2 Q00987 1/20 0.36
JAK2 O60674 1/20 0.35
STAT3 P40763 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 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
SCHEMBL16625713 1.00 MAPT (0.39) MAPTPOLBGAARECQLGFER
SCHEMBL518543 0.87 MAPT (0.38) MAPTPOLBGAARECQLGFER
SCHEMBL7784408 0.87 MAPT (0.38) MAPTPOLBGAARECQLGFER
SCHEMBL518542 0.87 MAPT (0.38) MAPTPOLBGAARECQLGFER
SCHEMBL10267018 0.83 NOTUM (0.43) MAPTPOLBGAARAB9ALMNA
SCHEMBL8369485 0.76 MAPT (0.51) MAPTPOLBGAATDP1RAB9A
SCHEMBL518943 0.74 MAPT (0.49) MAPTPOLBGAARECQLGFER
SCHEMBL518480 0.72 GAA (0.55) MAPTPOLBGAARAB9AALDH1A1
SCHEMBL518481 0.72 GAA (0.55) MAPTPOLBGAARAB9AALDH1A1
SCHEMBL7790094 0.72 GAA (0.55) MAPTPOLBGAARAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2017-04-27 US disclosed
US-8778944-B2 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 US disclosed
US-8513251-B2 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-20 US disclosed
US-8435995-B2 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8354411-B2 1-phenyl-3-pyrazolylpyridazin-4(1H)-one compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-15 US disclosed
US-20120277430-A1 PYRIDAZINONE COMPOUNDS TANIGUCHI TAKAHIKO (GB) 2012-11-01 US disclosed
US-20120277204-A1 PYRIDAZINONE COMPOUNDS TANIGUCHI TAKAHIKO (GB) 2012-11-01 US disclosed
US-20120277431-A1 PYRIDAZINONE COMPOUNDS TANIGUCHI TAKAHIKO (GB) 2012-11-01 US disclosed
US-20120028951-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 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 (5 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-20120277431-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B MAPT 4105/4885POLB 1658/4885GAA 1517/4885
US-20120277430-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B MAPT 4105/4885POLB 1658/4885GAA 1517/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B MAPT 4321/4885POLB 1356/4885GAA 924/4885
US-20120277204-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B MAPT 4105/4885POLB 1658/4885GAA 1517/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B MAPT 4105/4885POLB 1658/4885GAA 1517/4885

“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.