SCHEMBL2551697

SCHEMBL2551697

Cc1nn(-c2ccccc2)c2nc(C3CCN(C4CCN(C(=O)OC(C)(C)C)CC4)CC3)nc(O)c12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KHK P50053 2/20 0.49
GPR119 Q8TDV5 3/20 0.47
POLB P06746 1/20 0.45
MAPT P10636 4/20 0.44
TP53 P04637 3/20 0.44
THRB P10828 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 3/20 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
SCHEMBL2551520 0.95 KHK (0.46) KHKGPR119POLBMAPTTP53
SCHEMBL2545137 0.90 GPR119 (0.47) KHKGPR119POLBMAPTTP53
SCHEMBL2548520 0.84 KHK (0.49) KHKGPR119POLBMAPTTP53
SCHEMBL2550885 0.83 KHK (0.72) KHKGPR119POLBMAPTTP53
SCHEMBL12240045 0.83 KHK (0.66) KHKKDM4EHPGD
Hydrochloric Acid SCHEMBL2552475 0.82 KHK (0.65) KHKKDM4EHPGD
SCHEMBL2549483 0.79 KHK (0.68) KHKGPR119POLBMAPTHPGD
Hydrochloric Acid SCHEMBL2549305 0.79 KHK (0.66) KHKHSD17B10KDM4EHPGD
SCHEMBL12240043 0.76 KHK (0.58) KHKPOLBMAPTTP53HSD17B10
Hydrochloric Acid SCHEMBL2545296 0.76 KHK (0.57) KHKPOLBMAPTTP53HSD17B10

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-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
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 1/4885GPR119 12/4885POLB 4163/4885
US-20110263559-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS KHK, GCK, GCKR KHK 1/4885GPR119 12/4885POLB 4163/4885

“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.