SCHEMBL2068797

SCHEMBL2068797

CC(C)(N)C(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)c(Cl)c2)C1

nearest known ligand 0.87

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.87
CYP3A4 P08684 1/20 0.42
P2RX7 Q99572 3/20 0.42
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CSNK1D P48730 2/20 0.38
CSNK1E P49674 2/20 0.38
TGFBR1 P36897 1/20 0.38

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
SCHEMBL2068954 0.94 KCNH2 (0.89) KCNH2CYP3A4P2RX7CSNK1DCSNK1E
SCHEMBL2069758 0.93 KCNH2 (1.00) KCNH2CYP3A4P2RX7CSNK1DCSNK1E
SCHEMBL2069186 0.93 KCNH2 (0.84) KCNH2CYP3A4P2RX7MAPT
SCHEMBL999379 0.92 KCNH2 (1.00) KCNH2CYP3A4P2RX7CSNK1DCSNK1E
SCHEMBL2068537 0.91 KCNH2 (1.00) KCNH2CYP3A4P2RX7CSNK1DCSNK1E
SCHEMBL2069921 0.91 KCNH2 (0.80) KCNH2CYP3A4P2RX7TGFBR1
SCHEMBL2070064 0.91 KCNH2 (0.86) KCNH2CYP3A4P2RX7CSNK1DCSNK1E
SCHEMBL1000956 0.90 KCNH2 (0.87) KCNH2CYP3A4P2RX7CSNK1DCSNK1E
SCHEMBL2068638 0.90 KCNH2 (0.85) KCNH2CYP3A4P2RX7CSNK1DCSNK1E
SCHEMBL2068772 0.90 KCNH2 (1.00) KCNH2CYP3A4CSNK1DCSNK1ETGFBR1

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
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-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE NOVARTIS AG (CH) 2016-04-21 US disclosed
US-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE NOVARTIS AG (CH) 2016-04-21 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
WO-2011006143-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-01-13 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 (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 2202/4885CYP3A4 221/4885P2RX7 1623/4885
US-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE SQLE, SGMS2, SGMS1 KCNH2 1904/4885CYP3A4 100/4885P2RX7 1086/4885
US-20130281403-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES SQLE, ABCB1, FDPS KCNH2 1679/4885CYP3A4 97/4885P2RX7 1026/4885

“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.