SCHEMBL2548520

SCHEMBL2548520

Cc1nn(-c2ccccc2)c2nc(C3CCCN(C4CN(C(=O)OC(C)(C)C)C4)C3)nc(O)c12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KHK P50053 3/20 0.49
GPR119 Q8TDV5 3/20 0.42
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 4/20 0.38
POLB P06746 1/20 0.38
USP30 Q70CQ3 1/20 0.38
THRB P10828 2/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGDS O60760 1/20 0.37
LMNA P02545 3/20 0.37

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 0.86 KHK (0.46) KHKGPR119HSD17B10KDM4EHPGD
SCHEMBL2551697 0.84 KHK (0.49) KHKGPR119HSD17B10KDM4EHPGD
SCHEMBL2553474 0.84 KHK (0.71) KHKGPR119HPGDALDH1A1HPGDS
SCHEMBL2545137 0.81 GPR119 (0.47) KHKGPR119HSD17B10KDM4EHPGD
SCHEMBL2549483 0.72 KHK (0.68) KHKGPR119HPGDPOLBUSP30
SCHEMBL12240045 0.72 KHK (0.66) KHKKDM4EHPGDALDH1A1
Hydrochloric Acid SCHEMBL2552475 0.71 KHK (0.65) KHKKDM4EHPGDALDH1A1
SCHEMBL2550885 0.70 KHK (0.72) KHKGPR119HSD17B10KDM4EHPGD
Hydrochloric Acid SCHEMBL2549305 0.70 KHK (0.66) KHKHSD17B10KDM4EHPGDALDH1A1
SCHEMBL2580181 0.70 KHK (0.61) KHKHSD17B10KDM4EHPGDMAPT

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 12/4885HSD17B10 279/4885
US-20110263559-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS KHK, GCK, GCKR KHK 1/4885GPR119 12/4885HSD17B10 279/4885

“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.