SCHEMBL3124663

SCHEMBL3124663

COc1ccc(-c2ccc(Cl)nn2)c2cccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.44
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
MAOB P27338 2/20 0.42
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 3/20 0.40
MAOA P21397 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX12 P18054 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 2/20 0.39
GLO1 Q04760 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL2770506 0.75 KDM4E (0.65) G6PDPDE4APDE4BPDE4CPDE4D
SCHEMBL1506959 0.74 HTR1A (0.53) G6PDPDE4APDE4BPDE4CPDE4D
SCHEMBL8041159 0.74 CKS1B (0.52) G6PDPDE4APDE4BPDE4CPDE4D
SCHEMBL3124702 0.74 PDE4B (0.49) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL3120394 0.72 MAOB (0.49) PDE4BMAOBKDM4EKMT2ACYP3A4
SCHEMBL12566143 0.71 GLO1 (0.55) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL1132599 0.71 G6PD (0.54) G6PDPDE4APDE4BPDE4CPDE4D
SCHEMBL3147583 0.70 PSMD14 (0.58) G6PDPDE4APDE4BPDE4CPDE4D
SCHEMBL12600028 0.70 HTR1A (0.53) G6PDPDE4APDE4BPDE4CPDE4D
SCHEMBL22325311 0.69 MAOB (0.45) PDE4BMAOBKDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
EP-2168959-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP disclosed
EP-2168959-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 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 (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-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE5A, PDE2A G6PD 106/4885PDE4A 6/4885PDE4B 8/4885

“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.