SCHEMBL2549008

SCHEMBL2549008

CSc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNCC4)CC3)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KHK P50053 20/20 1.00

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
Hydrochloric Acid SCHEMBL2549673 0.99 KHK (0.98) KHK
SCHEMBL12239981 0.94 KHK (1.00) KHK
Hydrochloric Acid SCHEMBL2552327 0.93 KHK (0.98) KHK
SCHEMBL12239979 0.92 KHK (1.00) KHK
Hydrochloric Acid SCHEMBL2553084 0.91 KHK (0.98) KHK
SCHEMBL16712482 0.91 KHK (1.00) KHK
SCHEMBL16712534 0.90 KHK (1.00) KHK
SCHEMBL12239980 0.90 KHK (1.00) KHK
SCHEMBL16712511 0.89 KHK (0.80) KHK
Hydrochloric Acid SCHEMBL2546730 0.89 KHK (0.98) KHK

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560962-B1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-05-20 EP claimed
US-8822447-B2 Indazole compounds useful as ketohexokinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-09-02 US claimed
US-20110263559-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2011-10-27 US claimed
US-9771375-B2 Indazole compounds useful as ketohexokinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-09-26 US disclosed
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-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-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
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 1/4885
US-20110263559-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS KHK, GCK, GCKR KHK 1/4885

“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.