SCHEMBL999009

SCHEMBL999009

CC1(C)NCCn2c1nc(-c1ccc(F)cc1)c2Nc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.48
CYP3A4 P08684 1/20 0.48
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
BRD4 O60885 1/20 0.37
CYP2D6 P10635 2/20 0.35
USP2 O75604 1/20 0.35
CYP2C19 P33261 1/20 0.35
P2RX3 P56373 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
TAAR1 Q96RJ0 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
SCHEMBL15343927 0.89 KCNH2 (0.47) KCNH2CYP3A4ALDH1A1
SCHEMBL1047452 0.89 KCNH2 (0.47) KCNH2CYP3A4MEN1KMT2AP2RX3
SCHEMBL1050360 0.89 KCNH2 (0.59) KCNH2CYP3A4MEN1RAB9AKMT2A
SCHEMBL1049333 0.88 KCNH2 (0.51) KCNH2CYP3A4
SCHEMBL1050931 0.86 KCNH2 (0.49) KCNH2CYP3A4BRD4
SCHEMBL1050808 0.86 KCNH2 (0.49) KCNH2CYP3A4MEN1KMT2ABRD4
SCHEMBL1051946 0.85 KCNH2 (0.55) KCNH2CYP3A4ALDH1A1KDM4E
SCHEMBL1051802 0.85 KCNH2 (0.51) KCNH2CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL1049473 0.85 KCNH2 (0.51) KCNH2CYP3A4
SCHEMBL1047035 0.85 KCNH2 (0.49) KCNH2CYP3A4ALDH1A1MEN1NPC1

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-9963454-B2 Compounds and compositions for the treatment of parasitic disease NOVARTIS AG (CH) 2018-05-08 US claimed
US-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE NOVARTIS AG (CH) 2016-04-21 US claimed
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 claimed
US-20110059934-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-03-10 US claimed
WO-2011006143-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-01-13 WO 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
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-20130281403-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2013-10-24 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
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
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 2202/4885CYP3A4 221/4885ALDH1A1 1414/4885
US-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE SQLE, SGMS2, SGMS1 KCNH2 1904/4885CYP3A4 100/4885ALDH1A1 2013/4885
US-20130281403-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES SQLE, ABCB1, FDPS KCNH2 1679/4885CYP3A4 97/4885ALDH1A1 1800/4885

“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.