SCHEMBL12845833

SCHEMBL12845833

CC1(C)Cn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(C#N)c(F)c2)CN1C(=O)CN

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.55
CYP3A4 P08684 1/20 0.53
EGLN2 Q96KS0 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
GRM5 P41594 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL1047367 0.94 KCNH2 (0.53) KCNH2CYP3A4ALDH1A1LMNACSNK1D
SCHEMBL1051769 0.90 KCNH2 (0.59) KCNH2CYP3A4
SCHEMBL997741 0.88 KCNH2 (0.66) KCNH2CYP3A4ALDH1A1KDM4E
SCHEMBL12783437 0.88 KCNH2 (0.71) KCNH2CYP3A4JAK2JAK1
SCHEMBL1048603 0.86 KCNH2 (0.61) KCNH2CYP3A4LMNAMAPT
SCHEMBL12783444 0.86 KCNH2 (0.55) KCNH2CYP3A4
SCHEMBL1048093 0.85 KCNH2 (0.70) KCNH2CYP3A4ALDH1A1MAPT
SCHEMBL1048859 0.84 KCNH2 (0.68) KCNH2CYP3A4MAPT
SCHEMBL12845976 0.77 KCNH2 (0.42) KCNH2CYP3A4EGLN2GRM5CSNK1D
SCHEMBL1051229 0.77 KCNH2 (0.78) KCNH2CYP3A4ALDH1A1LMNACSNK1D

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
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
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 221/4885EGLN2 460/4885
US-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE SQLE, SGMS2, SGMS1 KCNH2 1904/4885CYP3A4 100/4885EGLN2 349/4885
US-20130281403-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES SQLE, ABCB1, FDPS KCNH2 1679/4885CYP3A4 97/4885EGLN2 302/4885

“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.