SCHEMBL2068516

SCHEMBL2068516

CCCCCNc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)N2CCn3c(nc(-c4ccc(F)cc4)c3Nc3ccc(C)cc3)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.55
PABPC1 P11940 1/20 0.41
HRH2 P25021 2/20 0.39
HRH1 P35367 2/20 0.39
P2RX7 Q99572 3/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ADORA1 P30542 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RY12 Q9H244 1/20 0.36

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
SCHEMBL2068517 1.00 KCNH2 (0.55) KCNH2PABPC1HRH2HRH1P2RX7
SCHEMBL17626542 0.91 KCNH2 (0.59) KCNH2P2RX7KMT2A
SCHEMBL2068470 0.90 KCNH2 (0.56) KCNH2PABPC1P2RX7CTSSCTSK
SCHEMBL2069451 0.86 KCNH2 (0.57) KCNH2PABPC1KMT2AP2RY12
SCHEMBL2068503 0.85 KCNH2 (0.57) KCNH2PABPC1P2RX7CTSSCTSK
SCHEMBL2069653 0.85 KCNH2 (0.63) KCNH2
SCHEMBL1052038 0.85 KCNH2 (0.62) KCNH2PABPC1KMT2A
SCHEMBL3769436 0.84 KCNH2 (0.60) KCNH2PABPC1KMT2AP2RY12
SCHEMBL18136314 0.84 KCNH2 (0.55) KCNH2PABPC1P2RX7ADORA1KMT2A
SCHEMBL17626268 0.84 KCNH2 (0.57) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE NOVARTIS AG (CH) 2016-04-21 US disclosed
EP-2737927-B1 Imidazo[1,2a]pyrazines and compositions comprising them for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-03-30 EP disclosed
EP-2737927-A1 Imidazo[1,2a]pyrazines and compositions comprising them for the treatment of parasitic diseases IRM LLC (BM) 2014-06-04 EP 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-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 4541/4885HRH2 551/4885
US-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE SQLE, SGMS2, SGMS1 KCNH2 1904/4885PABPC1 4699/4885HRH2 594/4885
US-20130281403-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES SQLE, ABCB1, FDPS KCNH2 1679/4885PABPC1 4650/4885HRH2 475/4885

“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.