SCHEMBL3126286

SCHEMBL3126286

COc1ccc(C2=NNC(=O)CC2C)c2cc(C(F)(F)F)sc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 18/20 1.00
PDE4B Q07343 16/20 1.00
PDE3B Q13370 4/20 0.52
PDE4A P27815 2/20 0.52
PDE4C Q08493 2/20 0.52
PDE4D Q08499 2/20 0.52
GPR119 Q8TDV5 1/20 0.43
ABCB11 O95342 1/20 0.39
MAOA P21397 1/20 0.39
ADORA2A P29274 1/20 0.39
PBRM1 Q86U86 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
SCHEMBL13304182 0.80 PDE4B (0.65) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL3120453 0.80 PDE4B (1.00) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL3114415 0.79 PDE4B (0.63) PDE3APDE4B
SCHEMBL2844862 0.79 PDE4B (0.62) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL3112300 0.78 PDE4B (1.00) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL3126369 0.78 PDE4B (1.00) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL3231515 0.77 PDE4B (0.59) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL3128095 0.76 PDE4B (0.61) PDE3APDE4BPDE4D
SCHEMBL3125467 0.76 PDE4B (1.00) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL3116941 0.74 PDE3A (0.85) PDE3APDE4BPDE3BPDE4APDE4C

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-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

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 PDE3A 1/4885PDE4B 8/4885PDE3B 4/4885

“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.