SCHEMBL2552015

SCHEMBL2552015

Cc1nn(-c2ccccc2)c2cc(Br)ccc12

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KHK P50053 15/20 0.58
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
MAPK1 P28482 1/20 0.49
PLK1 P53350 1/20 0.47

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
SCHEMBL730704 0.87 CA9 (0.53) KHKNPC1RAB9ACA12CA9
SCHEMBL24287437 0.81 PLK1 (0.48) KHKNPC1RAB9ACA12CA9
SCHEMBL2546328 0.81 KHK (0.57) KHKNPC1RAB9ACA12CA9
SCHEMBL16867405 0.81 KHK (0.57) KHKCA12CA9MAPK1PLK1
SCHEMBL2546794 0.81 KHK (0.58) KHKNPC1RAB9ACA9MAPK1
SCHEMBL13202409 0.81 KHK (0.58) KHKMAPK1PLK1
SCHEMBL2545087 0.81 KHK (0.39) KHKCA12CA9
SCHEMBL2551135 0.80 KHK (0.61) KHKMAPK1
SCHEMBL2549943 0.80 KHK (0.60) KHK
SCHEMBL16149856 0.80 NPC1 (0.67) KHKNPC1RAB9AMAPK1

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 1/4885NPC1 1011/4885RAB9A 3558/4885
US-20110263559-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS KHK, GCK, GCKR KHK 1/4885NPC1 1011/4885RAB9A 3558/4885

“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.