SCHEMBL3328240

SCHEMBL3328240

FC(F)(F)c1ccc(NC2CCNCC2)nc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.63
CCR6 P51684 12/20 0.52
SYK P43405 1/20 0.52
TDO2 P48775 1/20 0.47
AURKA O14965 1/20 0.46
PIM1 P11309 1/20 0.46
FLT3 P36888 1/20 0.46
GSK3B P49841 1/20 0.46
HCRTR1 O43613 1/20 0.46
CCR7 P32248 1/20 0.46
DPP4 P27487 1/20 0.46
CCNK O75909 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CDK12 Q9NYV4 1/20 0.46

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 SCHEMBL30284852 0.98 MAPK1 (0.62) MAPK1CCR6SYKTDO2AURKA
Hydrochloric Acid SCHEMBL2418145 0.98 MAPK1 (0.62) MAPK1CCR6SYKTDO2AURKA
Hydrochloric Acid SCHEMBL381811 0.98 MAPK1 (0.62) MAPK1CCR6SYKTDO2AURKA
SCHEMBL1033312 0.91 MAPK1 (0.53) MAPK1CCR6SYKHCRTR1
SCHEMBL6573805 0.91 MAPK1 (0.53) MAPK1CCR6SYKHCRTR1
SCHEMBL1033310 0.91 MAPK1 (0.53) MAPK1CCR6SYKHCRTR1
SCHEMBL15739645 0.89 CCR6 (0.61) CCR6HCRTR1CCR7DPP4
SCHEMBL18607634 0.86 CCR6 (0.55) CCR6PIM1HCRTR1CCR7DPP4
SCHEMBL15739705 0.86 HCRTR1 (0.55) CCR6HCRTR1CCR7DPP4CCNK
SCHEMBL17403521 0.85 MAPK1 (0.49) MAPK1CCR6SYKTDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230125684-A1 Aryl Sulfonyl Compounds as CCR6 Inhibitors CHEMOCENTRYX, INC. 2023-04-27 US disclosed
WO-2022130352-A1 NOVEL COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA CADILA HEALTHCARE LIMITED (IN) 2022-06-23 WO disclosed
EP-2576507-B1 HEXAFLUOROISOPROPYL CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI SA (FR) 2017-04-05 EP disclosed
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
US-8835418-B2 Hexafluoroisopropyl carbamate derivatives, their preparation and their therapeutic application SANOFI (FR) 2014-09-16 US disclosed
EP-2408742-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-09-03 EP disclosed
US-20130165422-A1 HEXAFLUOROISOPROPYL CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2013-06-27 US disclosed
EP-2576507-A1 HEXAFLUOROISOPROPYL CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2013-04-10 EP disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
WO-2011151808-A1 HEXAFLUOROISOPROPYL CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2011-12-08 WO disclosed
US-7754744-B2 Substituted piperidinamines as somatostatin receptor subtype 5 (SSTR5) antagonists HOFFMANN-LA ROCHE INC. (US) 2010-07-13 US disclosed
US-20100137368-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-03 US disclosed
US-20100137368-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-03 US disclosed
US-20100137368-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-03 US disclosed
CN-101663291-A Pyridine derivate as the dopamine 2 receptor antagonists of fast dissociating JANSSEN PHARMACEUTICA NV 2010-03-03 CN disclosed
EP-2148872-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2010-02-03 EP disclosed
WO-2008128994-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 WO disclosed
WO-2008019967-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO disclosed
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 US disclosed
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 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 (5 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-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO MAPK1 2766/4885CCR6 3045/4885SYK 2521/4885
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives SSTR5, SSTR3, SSTR1 MAPK1 1422/4885CCR6 3928/4885SYK 1708/4885
US-20230125684-A1 Aryl Sulfonyl Compounds as CCR6 Inhibitors CCR6, CCR1, CCR3 MAPK1 1686/4885CCR6 1/4885SYK 4308/4885
US-20130165422-A1 HEXAFLUOROISOPROPYL CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION F7, MGMT, CA13 MAPK1 3317/4885CCR6 1410/4885SYK 1988/4885
US-20100137368-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A MAPK1 768/4885CCR6 4377/4885SYK 1468/4885

“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.