SCHEMBL2553474

SCHEMBL2553474

Cc1nn(-c2ccccc2)c2nc(C3CCCN(C4CN(C(=O)OC(C)(C)C)C4)C3)[nH]c(=O)c12

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KHK P50053 10/20 0.71
TNF P01375 1/20 0.43
ATM Q13315 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
HPGDS O60760 2/20 0.43
CCNE1 P24864 4/20 0.42
CDK2 P24941 4/20 0.42
GPR119 Q8TDV5 2/20 0.41
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39

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
SCHEMBL2549483 0.87 KHK (0.68) KHKTNFATMNOD2NOD1
SCHEMBL2550885 0.85 KHK (0.72) KHKTNFATMNOD2NOD1
SCHEMBL2548520 0.84 KHK (0.49) KHKALDH1A1HPGDHPGDSGPR119
Hydrochloric Acid SCHEMBL2551537 0.83 KHK (0.98) KHKTNFATMNOD2NOD1
SCHEMBL2549439 0.82 KHK (0.61) KHKTNFATMNOD2NOD1
SCHEMBL13865894 0.77 KHK (0.62) KHKALDH1A1HPGDHTTCCNE1
SCHEMBL4514992 0.76 KHK (0.60) KHKTNFATMNOD2NOD1
SCHEMBL13865884 0.76 KHK (0.60) KHKALDH1A1HPGDHTTCCNE1
SCHEMBL13865874 0.75 KHK (0.62) KHKTNFATMNOD2NOD1
SCHEMBL25430145 0.75 HPGDS (0.47) KHKHPGDSGPR119

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-9771375-B2 Indazole compounds useful as ketohexokinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-09-26 US disclosed
EP-2560962-B1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-05-20 EP disclosed
US-20140336170-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2014-11-13 US disclosed
US-8822447-B2 Indazole compounds useful as ketohexokinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-09-02 US disclosed
EP-2560962-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS Janssen Pharmaceutica NV (BE) 2013-02-27 EP disclosed
WO-2011133750-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-10-27 WO disclosed
US-20110263559-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2011-10-27 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 (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-20140336170-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS KHK, GCK, GCKR KHK 1/4885TNF 4425/4885ATM 2414/4885
US-20110263559-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS KHK, GCK, GCKR KHK 1/4885TNF 4425/4885ATM 2414/4885

“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.