SCHEMBL6014993

SCHEMBL6014993

Cc1ccccc1N1N=C(c2ccccc2)CCC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
GAA P10253 2/20 0.49
MAPK13 O15264 3/20 0.47
MAPK12 P53778 3/20 0.47
MAPK11 Q15759 3/20 0.47
MAPK14 Q16539 3/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL29394481 0.80 GAA (0.74) CA12CA1CA2CA9CYP1A2
SCHEMBL6014889 0.79 CA12 (0.71) CA12CA1CA2CA9CYP1A2
SCHEMBL29392708 0.77 GAA (0.74) CA12CA1CA2CA9CYP1A2
SCHEMBL29394932 0.76 CA12 (0.68) CA12CA1CA2CA9CYP1A2
SCHEMBL10284043 0.74 SMN1; SMN2 (0.53) CA12CA1CA2CA9CYP1A2
SCHEMBL9382029 0.73 MAPT (0.67) CYP1A2GAATDP1ALDH1A1TSHR
SCHEMBL29395488 0.73 PDE4A (0.53) CA12CA1CA2CA9CYP1A2
SCHEMBL29394741 0.72 CA12 (0.62) CA12CA1CA2CA9CYP1A2
SCHEMBL29392073 0.72 PDE4A (0.63) CA12CA1CA2CA9CYP1A2
SCHEMBL29392433 0.72 CA12 (0.70) CA12CA1CA2CA9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-08-24 US disclosed
US-20030225081-A1 Pyridazinones and triazinones and medicinal use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-12-04 US disclosed
EP-1319659-A1 PYRIDAZINONES AND TRIAZINONES AND MEDICINAL USE THEREOF Eisai Co., Ltd. (JP) 2003-06-18 EP 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-20030225081-A1 Pyridazinones and triazinones and medicinal use thereof GRIK1, GRIK3, GRIK2 CA12 1556/4885CA1 378/4885CA2 424/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 CA12 2084/4885CA1 599/4885CA2 666/4885

“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.