SCHEMBL997998

SCHEMBL997998

Fc1ccc(Nc2c(-c3cccc(F)c3)nc3n2CCNC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.56
MKNK2 Q9HBH9 1/20 0.38
TGFBR1 P36897 1/20 0.38
CSNK1D P48730 3/20 0.37
CSNK1E P49674 3/20 0.37
GSK3B P49841 3/20 0.37
DYRK1A Q13627 3/20 0.37
HTR1A P08908 2/20 0.37
HTR7 P34969 2/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
HTR6 P50406 1/20 0.37
CYP3A4 P08684 1/20 0.36
WNT1 P04628 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
SCHEMBL12781374 0.90 KCNH2 (0.47) KCNH2TGFBR1CSNK1DCSNK1EHTR2A
SCHEMBL12781380 0.90 KCNH2 (0.45) KCNH2TGFBR1CSNK1DCSNK1EGSK3B
SCHEMBL2068927 0.89 KCNH2 (0.45) KCNH2MKNK2TGFBR1CSNK1DCSNK1E
SCHEMBL1046774 0.88 KCNH2 (0.52) KCNH2TGFBR1CSNK1DCSNK1EGSK3B
SCHEMBL1050486 0.88 KCNH2 (0.49) KCNH2CSNK1DCSNK1EHTR1AHTR7
SCHEMBL12781400 0.83 KCNH2 (0.48) KCNH2TGFBR1CSNK1DCSNK1EGSK3B
SCHEMBL12781426 0.83 KCNH2 (0.57) KCNH2TGFBR1CSNK1DCSNK1EGSK3B
SCHEMBL1048976 0.83 KCNH2 (0.57) KCNH2TGFBR1CSNK1DCSNK1EGSK3B
SCHEMBL12781434 0.83 KCNH2 (0.56) KCNH2TGFBR1CSNK1DCSNK1EGSK3B
SCHEMBL12781431 0.83 KCNH2 (0.48) KCNH2TGFBR1CSNK1DCSNK1EGSK3B

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-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE NOVARTIS AG (CH) 2016-04-21 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-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
EP-2451814-A2 FUSED IMIDAZOLES AND COMPOSITIONS COMPRISING THEM FOR THE TREATMENT OF PARASITIC DISEASES, SUCH AS E.G. MALARIA IRM LLC (BM) 2012-05-16 EP 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
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 2202/4885MKNK2 3096/4885TGFBR1 4816/4885
US-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE SQLE, SGMS2, SGMS1 KCNH2 1904/4885MKNK2 2529/4885TGFBR1 4770/4885
US-20130281403-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES SQLE, ABCB1, FDPS KCNH2 1679/4885MKNK2 2576/4885TGFBR1 4754/4885

“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.