SCHEMBL2545167

SCHEMBL2545167

CC(=NNc1ccccc1)c1ccc(Br)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
RAB9A P51151 8/20 0.44
GAA P10253 6/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 7/20 0.43
NPC1 O15118 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 3/20 0.43
TP53 P04637 1/20 0.43
ALOX12 P18054 1/20 0.43
GPR27 Q9NS67 1/20 0.43
DGAT1 O75907 1/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CASP6 P55212 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.40
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL2545161 1.00 MAPT (0.45) MAPTRAB9AGAAKMT2AMEN1
SCHEMBL2545164 1.00 MAPT (0.45) MAPTRAB9AGAAKMT2AMEN1
SCHEMBL1463431 0.82 NPC1 (0.49) MAPTRAB9AGAAKMT2AMEN1
SCHEMBL2549052 0.82 ALDH1A1 (0.41) MAPTRAB9AGAAKMT2AMEN1
SCHEMBL2548878 0.82 ALDH1A1 (0.41) MAPTRAB9AGAAKMT2AMEN1
SCHEMBL2548875 0.82 ALDH1A1 (0.41) MAPTRAB9AGAAKMT2AMEN1
SCHEMBL6285944 0.74 RAB9A (0.66) MAPTRAB9AGAAKMT2AMEN1
SCHEMBL6285948 0.74 RAB9A (0.66) MAPTRAB9AGAAKMT2AMEN1
SCHEMBL28905087 0.74 DGAT1 (0.52) RAB9AGAAKMT2AMEN1ALDH1A1
SCHEMBL903512 0.74 MAPT (0.47) MAPTRAB9AGAAKMT2AMEN1

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 MAPT 3163/4885RAB9A 3558/4885GAA 366/4885
US-20110263559-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS KHK, GCK, GCKR MAPT 3163/4885RAB9A 3558/4885GAA 366/4885

“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.