SCHEMBL2069062

SCHEMBL2069062

CCC(=O)Nc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCn3c(nc(-c4cccc(F)c4)c3Nc3ccc(Cl)c(F)c3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.51
PABPC1 P11940 1/20 0.43
MC4R P32245 1/20 0.35
HRH2 P25021 2/20 0.35
HRH1 P35367 2/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
ADORA1 P30542 1/20 0.34
KMT2A Q03164 2/20 0.34
PARP1 P09874 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL2068274 0.94 KCNH2 (0.48) KCNH2PABPC1MC4RHRH2HRH1
SCHEMBL20121537 0.93 KCNH2 (0.53) KCNH2PABPC1MC4RHRH2HRH1
SCHEMBL2068538 0.92 KCNH2 (0.54) KCNH2PABPC1MC4RHRH2HRH1
SCHEMBL17626350 0.91 KCNH2 (0.52) KCNH2MC4RKMT2AP2RX7
SCHEMBL2070632 0.90 KCNH2 (0.52) KCNH2PABPC1CTSSCTSKPARP1
SCHEMBL2068837 0.89 KCNH2 (0.55) KCNH2PABPC1MC4RCTSSCTSK
SCHEMBL1051002 0.87 KCNH2 (0.55) KCNH2P2RX7
SCHEMBL2068262 0.86 KCNH2 (0.52) KCNH2PABPC1MC4RCTSSCTSK
SCHEMBL2068859 0.86 KCNH2 (0.55) KCNH2PABPC1HRH2HRH1CTSS
SCHEMBL17626322 0.85 KCNH2 (0.49) KCNH2MC4RKMT2AP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469645-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-10-18 US claimed
EP-2737927-B1 Imidazo[1,2a]pyrazines and compositions comprising them for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-03-30 EP claimed
EP-2737927-A1 Imidazo[1,2a]pyrazines and compositions comprising them for the treatment of parasitic diseases IRM LLC (BM) 2014-06-04 EP claimed
US-20130281403-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2013-10-24 US claimed
US-8557801-B2 Compounds and compositions useful for the treatment of parasitic diseases IRM LLC (BM) 2013-10-15 US claimed
US-20110059934-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-03-10 US claimed
US-9963454-B2 Compounds and compositions for the treatment of parasitic disease NOVARTIS AG (CH) 2018-05-08 US disclosed
US-9963454-B2 Compounds and compositions for the treatment of parasitic disease NOVARTIS AG (CH) 2018-05-08 US disclosed
US-9963454-B2 Compounds and compositions for the treatment of parasitic disease NOVARTIS AG (CH) 2018-05-08 US disclosed
US-9469645-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-10-18 US disclosed
US-9469645-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-10-18 US disclosed
US-9469645-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-10-18 US disclosed
US-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE NOVARTIS AG (CH) 2016-04-21 US disclosed
US-20130281403-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2013-10-24 US disclosed
US-8557801-B2 Compounds and compositions useful for the treatment of parasitic diseases IRM LLC (BM) 2013-10-15 US disclosed
US-8557801-B2 Compounds and compositions useful for the treatment of parasitic diseases IRM LLC (BM) 2013-10-15 US disclosed
US-8557801-B2 Compounds and compositions useful for the treatment of parasitic diseases IRM LLC (BM) 2013-10-15 US disclosed
US-20110059934-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-03-10 US disclosed
US-20110059934-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-03-10 US disclosed
US-20110059934-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-03-10 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 (3 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-20110059934-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF PARASITIC DISEASES SQLE, SGMS2, FDPS KCNH2 2202/4885PABPC1 4541/4885MC4R 1381/4885
US-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE SQLE, SGMS2, SGMS1 KCNH2 1904/4885PABPC1 4699/4885MC4R 1355/4885
US-20130281403-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES SQLE, ABCB1, FDPS KCNH2 1679/4885PABPC1 4650/4885MC4R 1302/4885

“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.