SCHEMBL2545137

SCHEMBL2545137

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.47
POLB P06746 1/20 0.47
TP53 P04637 3/20 0.46
THRB P10828 2/20 0.46
LMNA P02545 3/20 0.45
MAPT P10636 5/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KHK P50053 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL2551697 0.90 KHK (0.49) GPR119POLBTP53THRBLMNA
SCHEMBL2551520 0.87 KHK (0.46) GPR119POLBTP53THRBLMNA
SCHEMBL12240043 0.85 KHK (0.58) POLBTP53MAPTHPGDKDM4E
Hydrochloric Acid SCHEMBL2545296 0.84 KHK (0.57) POLBTP53MAPTHPGDKDM4E
SCHEMBL2549439 0.83 KHK (0.61) GPR119POLBTP53THRBLMNA
SCHEMBL2548520 0.81 KHK (0.49) GPR119POLBTP53THRBLMNA
SCHEMBL18694396 0.75 HPGD (0.60) GPR119POLBTP53THRBLMNA
SCHEMBL18704507 0.75 GPR119 (0.47) GPR119POLBTP53THRBLMNA
SCHEMBL12240049 0.74 KHK (0.72) KHK
SCHEMBL12240045 0.74 KHK (0.66) HPGDKDM4EKHK

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 GPR119 12/4885POLB 4163/4885TP53 4536/4885
US-20110263559-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS KHK, GCK, GCKR GPR119 12/4885POLB 4163/4885TP53 4536/4885

“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.