SCHEMBL10259019

SCHEMBL10259019

Cc1cccc(-n2ccc(=O)c(-c3ncnn3-c3ccccc3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HTT P42858 1/20 0.53
ALDH1A1 P00352 2/20 0.47
PDE10A Q9Y233 3/20 0.46
POLB P06746 2/20 0.42
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MAPT P10636 1/20 0.37
RPA1 P27694 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37

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
SCHEMBL519380 0.84 ALDH1A1 (0.70) MEN1KMT2AHTTALDH1A1PDE10A
SCHEMBL10258173 0.82 HTT (0.77) MEN1KMT2AHTTALDH1A1PDE10A
SCHEMBL519467 0.81 PDE10A (0.68) MEN1KMT2AHTTALDH1A1PDE10A
SCHEMBL10258824 0.80 MEN1 (0.55) MEN1KMT2AHTTALDH1A1PDE10A
SCHEMBL10258804 0.77 MEN1 (0.55) MEN1KMT2AHTTALDH1A1PDE10A
SCHEMBL10258768 0.76 MEN1 (0.54) MEN1KMT2AHTTALDH1A1PDE10A
SCHEMBL10258709 0.76 PDE10A (0.61) MEN1KMT2AHTTALDH1A1PDE10A
SCHEMBL10258446 0.75 PDE10A (0.61) MEN1KMT2AHTTALDH1A1PDE10A
SCHEMBL10258497 0.74 PDE10A (0.54) MEN1KMT2AHTTALDH1A1PDE10A
SCHEMBL10258710 0.73 PDE10A (0.57) MEN1KMT2AHTTALDH1A1PDE10A

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 4 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-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2017-04-27 US disclosed
US-9550756-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-24 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 (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-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B MEN1 3239/4885KMT2A 1887/4885HTT 3917/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B MEN1 3445/4885KMT2A 1770/4885HTT 3986/4885

“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.