SCHEMBL2580181

SCHEMBL2580181

Cc1nn(-c2ccccc2)c2nc(C3CCNCC3)nc(O)c12

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KHK P50053 7/20 0.61
HPGD P15428 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
MAPT P10636 1/20 0.42
TNF P01375 1/20 0.41
ATM Q13315 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
HTT P42858 1/20 0.41
NT5E P21589 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
Hydrochloric Acid SCHEMBL2547234 0.99 KHK (0.60) KHKHPGDALDH1A1KDM4EHSD17B10
SCHEMBL12240045 0.91 KHK (0.66) KHKHPGDALDH1A1KDM4E
Hydrochloric Acid SCHEMBL2552475 0.90 KHK (0.65) KHKHPGDALDH1A1KDM4E
SCHEMBL12240043 0.87 KHK (0.58) KHKHPGDALDH1A1KDM4EHSD17B10
SCHEMBL12240044 0.87 KHK (0.67) KHKHPGDALDH1A1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL2545296 0.86 KHK (0.57) KHKHPGDALDH1A1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL2549305 0.86 KHK (0.66) KHKHPGDALDH1A1KDM4EHSD17B10
SCHEMBL12240046 0.85 KHK (0.63) KHKMAPT
Hydrochloric Acid SCHEMBL2547315 0.84 KHK (0.62) KHKMAPTHTT
SCHEMBL2550716 0.80 KHK (0.52) KHKHPGDALDH1A1KDM4EHSD17B10

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 12 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
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-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
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
US-20110263559-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2011-10-27 US disclosed
WO-2011133750-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-10-27 WO 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 1/4885HPGD 634/4885ALDH1A1 1451/4885
US-20110263559-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS KHK, GCK, GCKR KHK 1/4885HPGD 634/4885ALDH1A1 1451/4885

“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.