SCHEMBL2961374

SCHEMBL2961374

CCc1cc2c(C(=O)CCC(=O)O)cccn2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.35
NR4A2 P43354 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
ADAM17 P78536 1/20 0.33
ADORA1 P30542 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
CYP2C19 P33261 1/20 0.33
MIF P14174 1/20 0.32
TBXAS1 P24557 1/20 0.32

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
SCHEMBL2963896 0.86 HSP90AB1 (0.35) KMT2AMEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL3222485 0.85 DHODH (0.40) ALDH1A1KDM4EHSD17B10
SCHEMBL13266060 0.84 PARP1 (0.33) KMT2AMEN1MIFRAB9ASMN1; SMN2
SCHEMBL2961579 0.81 PDE4B (0.36) KMT2AMEN1HTTALDH1A1KDM4E
SCHEMBL2963981 0.76 KDM4E (0.36) KMT2AMEN1HTTALDH1A1KDM4E
SCHEMBL13266037 0.74 MIF (0.35) KMT2AMEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL13266123 0.74 PDE4B (0.31) KMT2AMEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL2968785 0.73 PDE4B (0.57) HTT
SCHEMBL3460245 0.73 DHODH (0.41) HTTALDH1A1KDM4EPOLBHSD17B10
SCHEMBL2965155 0.73 PDE4B (0.35) KMT2AMEN1ALDH1A1CYP1A2KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763617-B2 Pyrazolopyridine-4-yl pyridazinone derivatives and addition salts thereof, and PDE inhibitors comprising the same derivatives or salts as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
US-7763617-B2 Pyrazolopyridine-4-yl pyridazinone derivatives and addition salts thereof, and PDE inhibitors comprising the same derivatives or salts as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
US-7763617-B2 Pyrazolopyridine-4-yl pyridazinone derivatives and addition salts thereof, and PDE inhibitors comprising the same derivatives or salts as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
US-20080207902-A1 Pyrazolopyridine-4-Yl Pyridazinone Derivatives and Addition Salts Thereof, and Pde Inhibitors Comprising the Same Derivatives or Salts as Active Ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
US-20080207902-A1 Pyrazolopyridine-4-Yl Pyridazinone Derivatives and Addition Salts Thereof, and Pde Inhibitors Comprising the Same Derivatives or Salts as Active Ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
US-20080207902-A1 Pyrazolopyridine-4-Yl Pyridazinone Derivatives and Addition Salts Thereof, and Pde Inhibitors Comprising the Same Derivatives or Salts as Active Ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US 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-20080207902-A1 Pyrazolopyridine-4-Yl Pyridazinone Derivatives and Addition Salts Thereof, and Pde Inhibitors Comprising the Same Derivatives or Salts as Active Ingredient PDE5A, PDE3A, PDE3B KMT2A 2302/4885MEN1 3547/4885HTT 4767/4885

“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.