SCHEMBL12781599

SCHEMBL12781599

CC(C)(C)Nc1c(-c2ccccc2)nc2cnccn12

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 1/20 0.71
BRD4 O60885 6/20 0.65
TAF1 P21675 1/20 0.65
TAF1L Q8IZX4 1/20 0.65
GAA P10253 4/20 0.64
KDM4E B2RXH2 2/20 0.64
LMNA P02545 2/20 0.64
MAPK1 P28482 1/20 0.64
SALL4 Q9UJQ4 1/20 0.63
BRAF P15056 2/20 0.60
CDK9 P50750 1/20 0.57
TOP2A P11388 2/20 0.56
IDO1 P14902 2/20 0.55
MAPT P10636 2/20 0.54
TP53 P04637 1/20 0.54
ALDH1A1 P00352 1/20 0.51
BACE1 P56817 1/20 0.49
BACE2 Q9Y5Z0 1/20 0.49

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
SCHEMBL31193266 0.90 BRD4 (0.66) ADRA1BBRD4TAF1TAF1LGAA
SCHEMBL16424680 0.87 BRD4 (0.65) ADRA1BBRD4TAF1TAF1LGAA
SCHEMBL14433728 0.85 GAA (0.72) BRD4TAF1TAF1LGAAKDM4E
SCHEMBL25414843 0.83 ADRA1B (1.00) ADRA1BBRD4KDM4ESALL4TOP2A
SCHEMBL6650652 0.82 BRD4 (0.60) ADRA1BBRD4TAF1TAF1LGAA
SCHEMBL6646005 0.82 ADRA1B (0.76) ADRA1BBRD4TAF1TAF1LGAA
SCHEMBL5122743 0.81 BRD4 (0.55) ADRA1BBRD4TAF1TAF1LGAA
SCHEMBL5116820 0.81 BRD4 (0.54) ADRA1BBRD4TAF1TAF1LGAA
SCHEMBL6642620 0.81 SALL4 (0.76) ADRA1BBRD4TAF1TAF1LGAA
Hydrochloric Acid SCHEMBL5166372 0.81 BRD4 (0.59) ADRA1BBRD4TAF1TAF1LGAA

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 15 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-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
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-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-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 ADRA1B 3486/4885BRD4 2463/4885TAF1 4446/4885
US-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE SQLE, SGMS2, SGMS1 ADRA1B 3239/4885BRD4 1961/4885TAF1 4378/4885
US-20130281403-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES SQLE, ABCB1, FDPS ADRA1B 3393/4885BRD4 1904/4885TAF1 4502/4885

“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.