SCHEMBL12733191

SCHEMBL12733191

N#Cc1ccc(NC2CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
CCNK O75909 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CDK12 Q9NYV4 1/20 0.48
EPHX1 P07099 1/20 0.47
TRPA1 O75762 1/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
DPP4 P27487 2/20 0.42
IRAK4 Q9NWZ3 2/20 0.42
CYP1B1 Q16678 1/20 0.41

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
SCHEMBL15739641 0.92 CTSK (0.54) CCR6CTSSCTSKCCNKCCNA2
SCHEMBL3475103 0.92 CTSK (0.57) CCR6CTSSCTSKCCNKCCNA2
SCHEMBL7790085 0.91 TRPA1 (0.47) CCR6CTSSCTSKCCNKCCNA2
SCHEMBL3816119 0.91 IRAK4 (0.51) CCR6CTSSCTSKCCNKCCNA2
SCHEMBL13450562 0.91 CCR6 (0.47) CCR6CTSSCTSKCCNKCCNA2
SCHEMBL16480090 0.91 CCR6 (0.47) CCR6CTSSCTSKCCNKCCNA2
SCHEMBL3477124 0.90 CTSK (0.60) CCR6CTSSCTSKEPHX1TRPA1
SCHEMBL377685 0.88 CTSS (0.48) CCR6CTSSCTSKCCNKCCNA2
Hydrochloric Acid SCHEMBL23302911 0.87 CTSS (0.47) CCR6CTSSCTSKCCNKCCNA2
Hydrochloric Acid SCHEMBL383062 0.87 CTSS (0.47) CCR6CTSSCTSKCCNKCCNA2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137865-A1 COMPOUNDS USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2024-06-27 WO disclosed
WO-2023137356-A1 15-PGDH INHIBITORS VENTYX BIOSCIENCES, INC. (US) 2023-07-20 WO disclosed
WO-2023137356-A1 15-PGDH INHIBITORS VENTYX BIOSCIENCES, INC. (US) 2023-07-20 WO disclosed
WO-2023122778-A1 PYRIDAZINONE DERIVATIVES USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2023-06-29 WO disclosed
US-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 US disclosed
US-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 US disclosed
EP-2925757-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2017-10-04 EP disclosed
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 US disclosed
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 US disclosed
CN-105164124-B Compounds and compositions for treating parasitic diseases 诺华股份有限公司 2017-03-15 CN disclosed
EP-2925757-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES Novartis AG (CH) 2015-10-07 EP disclosed
EP-2475428-B1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2015-07-01 EP disclosed
WO-2014078802-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 WO disclosed
WO-2014078802-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 WO disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 US disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 US disclosed
US-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 US disclosed
US-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 US disclosed
US-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 US disclosed
US-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 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-20110092501-A1 NOVEL INHIBITORS GLUL, QPCT, GLS CCR6 4780/4885CTSS 2246/4885CTSK 2891/4885
US-20140065095-A1 NOVEL INHIBITORS GLUL, QPCT, GLS CCR6 4780/4885CTSS 2246/4885CTSK 2891/4885

“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.