SCHEMBL2844964

SCHEMBL2844964

COc1cccc(C2=NNC(=O)C2(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.53
GAA P10253 1/20 0.47
NOTUM Q6P988 1/20 0.46
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
PDE3A Q14432 3/20 0.43
PDE4B Q07343 2/20 0.43
CHEK1 O14757 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
PDE3B Q13370 1/20 0.42
F2 P00734 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
PKM P14618 1/20 0.41
NISCH Q9Y2I1 1/20 0.41

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 0.78 PDE4B (0.52) PDE3APDE4BPDE3B
SCHEMBL7380645 0.77 PDE3A (0.54) GAAPDE3APDE4BALDH1A1PDE3B
SCHEMBL2844867 0.74 CHEK1 (0.45) DYRK1ACLK4PDE3APDE4BCHEK1
SCHEMBL2847004 0.74 PDE3A (0.49) PDE3APDE4BALDH1A1PDE3BKMT2A
SCHEMBL11867169 0.74 DYRK1A (0.55) NOTUMNCOA1NCOA3HDAC4HDAC8
SCHEMBL2843398 0.70 PDE4B (0.45) PDE3APDE4BPDE3B
SCHEMBL184502 0.70 PDE4B (0.61) HDAC8PDE3APDE4BALDH1A1LMNA
SCHEMBL5225707 0.70 PGR (1.00) PGRHDAC4HDAC8PDE3APDE4B
SCHEMBL196765 0.69 CYP3A4 (0.73) GAANOTUMHDAC4HDAC8DYRK1A
SCHEMBL29489425 0.69 CYP3A4 (0.73) GAANOTUMHDAC4HDAC8DYRK1A

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 7 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-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-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

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 PGR 2630/4885GAA 918/4885NOTUM 2205/4885
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE5A, PDE2A PGR 2448/4885GAA 665/4885NOTUM 1984/4885

“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.