SCHEMBL3124621

SCHEMBL3124621

CCC(=O)c1ccc(OC)c2nc(C(F)(F)F)oc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.46
PDE3A Q14432 2/20 0.46
CA9 Q16790 1/20 0.42
ELANE P08246 1/20 0.39
HMGCR P04035 1/20 0.38
PDE4A P27815 6/20 0.37
PDE4C Q08493 6/20 0.37
PDE4D Q08499 6/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE11A Q9HCR9 2/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL3124195 0.91 PDE4B (0.47) PDE4BPDE3ACA9ELANEHMGCR
SCHEMBL3121038 0.83 CA9 (0.45) PDE4BCA9HMGCRPDE4APDE4C
SCHEMBL3114212 0.81 PDE4B (0.47) PDE4BPDE3AELANEPDE4APDE4C
SCHEMBL22439440 0.74 PDE4B (0.52) PDE4BPDE3AELANEHPGDTSHR
SCHEMBL3124816 0.74 PDE4B (0.47) PDE4BPDE3AELANEPDE4APDE4C
SCHEMBL2848037 0.73 PDE4B (0.52) PDE4BPDE3ACA9HMGCRPDE4A
SCHEMBL2839762 0.73 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL2842819 0.72 PDE4B (0.48) PDE4BPDE3AHMGCRPDE4APDE4C
SCHEMBL6609012 0.71 TDP1 (0.41) PDE4BCA9PDE4APDE4CPDE4D
SCHEMBL2847128 0.71 PDE4B (0.47) PDE4BPDE3ACA9HMGCRPDE4A

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 PDE4B 8/4885PDE3A 1/4885CA9 2798/4885

“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.