SCHEMBL2852144

SCHEMBL2852144

COc1ccc(C2=NNC(=O)C2(C)C)c2ccc(C(F)(F)F)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 1.00
PDE3A Q14432 10/20 1.00
PDE11A Q9HCR9 1/20 0.46
PDE10A Q9Y233 1/20 0.46

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
SCHEMBL2848033 0.84 PDE4B (0.73) PDE4BPDE3A
SCHEMBL2847415 0.81 PDE4B (1.00) PDE4BPDE3A
SCHEMBL2846419 0.81 PDE4B (0.69) PDE4BPDE3A
SCHEMBL2841976 0.79 PDE4B (1.00) PDE4BPDE3A
SCHEMBL2844261 0.78 PDE4B (0.84) PDE4BPDE3A
SCHEMBL2849227 0.77 PDE4B (1.00) PDE4BPDE3A
SCHEMBL13322102 0.77 PDE4B (0.64) PDE4BPDE3A
SCHEMBL3129120 0.76 PDE4B (0.66) PDE4BPDE3APDE11APDE10A
SCHEMBL2847616 0.75 PDE4B (1.00) PDE4BPDE3A
SCHEMBL3112300 0.73 PDE4B (1.00) PDE4BPDE3A

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-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2168960-A1 PYRAZOLONE 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-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE3B, PDE2A PDE4B 6/4885PDE3A 1/4885PDE11A 30/4885

“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.