SCHEMBL13675576

SCHEMBL13675576

COc1ccc(-c2n[nH]c(=O)cc2-c2ccc(CO)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.51
CCND1 P24385 8/20 0.51
CCNE2 O96020 6/20 0.51
CCNE1 P24864 6/20 0.51
CDK2 P24941 6/20 0.51
CHEK1 O14757 1/20 0.47
LMNA P02545 1/20 0.47
AURKB Q96GD4 1/20 0.46
MAP2K4 P45985 1/20 0.45
ROCK1 Q13464 2/20 0.44
ROCK2 O75116 1/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL3946869 0.90 CDK4 (0.59) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL391623 0.88 CDK4 (0.57) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL3949166 0.84 CDK4 (0.53) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL3942034 0.84 CDK4 (0.53) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL3945127 0.80 PDE4A (0.61) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL3938082 0.77 PDE4A (0.48) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL3943845 0.77 CDK4 (0.49) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL1372708 0.76 LMNA (0.55) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL4055271 0.76 LMNA (0.55) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL2847607 0.76 LMNA (0.55) CDK4CCND1CCNE2CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270399-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS KOWA CO., LTD. (JP) 2009-10-29 US disclosed
US-20090069332-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS KOWA CO., LTD. (JP) 2009-03-12 US disclosed
US-20080119474-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS KOWA CO., LTD. (JP) 2008-05-22 US disclosed
US-20070049595-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2007-03-01 US disclosed
US-20070049595-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2007-03-01 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 (4 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-20090270399-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 CDK4 1774/4885CCND1 2936/4885CCNE2 2379/4885
US-20070049595-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, TLR1, IRAK1 CDK4 1572/4885CCND1 2933/4885CCNE2 2533/4885
US-20090069332-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 CDK4 1774/4885CCND1 2936/4885CCNE2 2379/4885
US-20080119474-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 CDK4 1789/4885CCND1 3115/4885CCNE2 2403/4885

“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.