SCHEMBL15739705

SCHEMBL15739705

FC(F)(F)c1ccc(NC2CCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.55
CCR6 P51684 10/20 0.55
HCAR3 P49019 2/20 0.54
DPP4 P27487 1/20 0.51
CCR7 P32248 1/20 0.48
CCNK O75909 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CDK12 Q9NYV4 1/20 0.48

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
SCHEMBL18607634 0.97 CCR6 (0.55) HCRTR1CCR6HCAR3DPP4CCR7
SCHEMBL15739645 0.93 CCR6 (0.61) HCRTR1CCR6HCAR3DPP4CCR7
SCHEMBL25526387 0.87 HCRTR1 (0.48) HCRTR1CCR6DPP4CCNKCCNA2
SCHEMBL3807921 0.86 CCR6 (0.55) HCRTR1CCR6DPP4CCR7
SCHEMBL13100471 0.86 CCR6 (0.55) HCRTR1CCR6DPP4CCR7CCNK
SCHEMBL3328240 0.86 MAPK1 (0.63) HCRTR1CCR6DPP4CCR7CCNK
Hydrochloric Acid SCHEMBL381811 0.84 MAPK1 (0.62) HCRTR1CCR6DPP4CCR7
Hydrochloric Acid SCHEMBL30284852 0.84 MAPK1 (0.62) HCRTR1CCR6DPP4CCR7
Hydrochloric Acid SCHEMBL2418145 0.84 MAPK1 (0.62) HCRTR1CCR6DPP4CCR7
SCHEMBL20145185 0.84 IL1B (0.53) HCRTR1CCR6CCNKCDK2CDK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 US disclosed
US-9556169-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-01-31 US disclosed
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2016-11-17 US disclosed
CN-105164124-A Compounds and compositions for treating parasitic diseases NOVARTIS AG 2015-12-16 CN disclosed
US-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-12-03 US disclosed
WO-2014078802-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 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-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 HCRTR1 567/4885CCR6 2918/4885HCAR3 3579/4885
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 HCRTR1 567/4885CCR6 2918/4885HCAR3 3579/4885

“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.