SCHEMBL2844867

SCHEMBL2844867

COc1cc(C2=NNC(=O)C2(C)C)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.45
PDE3A Q14432 9/20 0.44
PDE4B Q07343 8/20 0.44
POLB P06746 1/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 1/20 0.43
PDGFRB P09619 1/20 0.43
KIT P10721 1/20 0.43
KDR P35968 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
IDO1 P14902 1/20 0.43
PDE3B Q13370 1/20 0.43
CXCL12 P48061 1/20 0.43
DAPK3 O43293 1/20 0.42
PRKD3 O94806 1/20 0.42
ABL1 P00519 1/20 0.42
PIM1 P11309 1/20 0.42
LTK P29376 1/20 0.42

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
SCHEMBL185088 0.87 PDE4B (0.52) PDE3APDE4BPDE3B
SCHEMBL2848137 0.83 PDE3A (0.46) PDE3APDE4BPDE3B
SCHEMBL2847004 0.81 PDE3A (0.49) PDE3APDE4BPDGFRBPDE3B
SCHEMBL2846297 0.80 PDE3A (0.45) PDE3APDE4BPDE3B
SCHEMBL2843398 0.79 PDE4B (0.45) PDE3APDE4BPDE3B
SCHEMBL2844753 0.76 PDE3A (0.52) PDE3APDE4BPDE3B
SCHEMBL2847376 0.76 PDE3A (0.55) PDE3APDE4BPDE3B
SCHEMBL184502 0.75 PDE4B (0.61) PDE3APDE4BCYP1A1CYP1A2PDE3B
SCHEMBL184199 0.75 PDE3A (0.43) PDE3APDE4BPOLBPDE3B
SCHEMBL2844964 0.74 PGR (0.53) CHEK1PDE3APDE4BPDE3BDYRK1A

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 9 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
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-2168959-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP 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
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 (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-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE3B, PDE2A CHEK1 2220/4885PDE3A 1/4885PDE4B 6/4885
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE5A, PDE2A CHEK1 2251/4885PDE3A 1/4885PDE4B 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.