SCHEMBL3125886

SCHEMBL3125886

CCC(=O)c1cccn2nc(CC)nc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.42
PARP1 P09874 1/20 0.42
HPGD P15428 1/20 0.37
JAK1 P23458 1/20 0.33
PDE10A Q9Y233 5/20 0.33
MIF P14174 1/20 0.32
HTR4 Q13639 2/20 0.32
HSP90AB1 P08238 1/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RIPK1 Q13546 2/20 0.31
HTT P42858 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL13303923 0.82 TSHR (0.49) HPGDKMT2ATSHRMEN1HSD17B10
SCHEMBL13303928 0.79 DHODH (0.37) DHODHPARP1HPGDJAK1PDE10A
SCHEMBL10271981 0.74 PDE10A (0.51) HPGDPDE10ATSHRHSD17B10
SCHEMBL2963896 0.71 HSP90AB1 (0.35) DHODHPARP1MIFHSP90AB1KMT2A
Hydrochloric Acid SCHEMBL31186130 0.70 DHODH (0.51) DHODHPARP1PDE10AHSD17B10
SCHEMBL3120277 0.70 PDE4B (0.40) PDE10A
SCHEMBL20121983 0.67 TSHR (0.37) HPGDMIFKMT2ATSHRMEN1
SCHEMBL2963981 0.66 KDM4E (0.36) MIFHSP90AB1KMT2AMEN1HTT
SCHEMBL12510077 0.65 HPGD (0.35) HPGDMIFTSHRHSD17B10LMNA
SCHEMBL13990159 0.65 L3MBTL1 (0.52) HSP90AB1KMT2ATSHRHSD17B10HTT

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 3 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
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 DHODH 650/4885PARP1 577/4885HPGD 96/4885

“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.