SCHEMBL2546778

SCHEMBL2546778

CCc1nn(-c2ccccc2)c2nc(Cl)ncc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KHK P50053 7/20 0.54
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NR3C1 P04150 2/20 0.43
MAPT P10636 4/20 0.41
THRB P10828 1/20 0.41
GAA P10253 1/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL27243877 0.77 CCNA2 (0.47) ALDH1A1MAPTGAAGSK3AGSK3B
SCHEMBL30881429 0.77 CCNA2 (0.47) ALDH1A1MAPTGAAGSK3AGSK3B
SCHEMBL14192196 0.76 PDE2A (0.37) KHKNR3C1GAAMEN1KMT2A
SCHEMBL2549092 0.76 KHK (0.49) KHKALDH1A1MAPK1L3MBTL1NR3C1
SCHEMBL12240042 0.73 KHK (0.67) KHKALDH1A1MAPK1L3MBTL1
SCHEMBL2550251 0.71 KHK (1.00) KHK
SCHEMBL8372488 0.69 ALDH1A1 (0.66) KHKALDH1A1MAPK1L3MBTL1GAA
SCHEMBL343580 0.68 KDM4E (0.56) ALDH1A1MAPTTHRBGAAKDM4E
SCHEMBL16498181 0.68 MAPT (0.38) ALDH1A1MAPK1MAPTTHRBGSK3A
SCHEMBL17963259 0.68 NR3C1 (0.72) NR3C1

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
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 1/4885ALDH1A1 1451/4885MAPK1 2191/4885
US-20110263559-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS KHK, GCK, GCKR KHK 1/4885ALDH1A1 1451/4885MAPK1 2191/4885

“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.