SCHEMBL997742

SCHEMBL997742

CC(C)(C)CC(C)(C)Nc1c(-c2cccnc2)nc2ccccn12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.59
KDM4E B2RXH2 5/20 0.59
MAPK1 P28482 3/20 0.59
ADRA1B P35368 1/20 0.57
ALDH1A1 P00352 3/20 0.52
POLB P06746 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GFER P55789 1/20 0.52
IDO1 P14902 1/20 0.50
TSHR P16473 1/20 0.50
TP53 P04637 2/20 0.47
MAPT P10636 1/20 0.47
TOP2A P11388 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
BACE1 P56817 2/20 0.44
BACE2 Q9Y5Z0 2/20 0.44

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
SCHEMBL998603 0.88 ADRA1B (0.73) GAAKDM4EADRA1BALDH1A1POLB
SCHEMBL6646005 0.87 ADRA1B (0.76) GAAKDM4EMAPK1ADRA1BALDH1A1
SCHEMBL5164491 0.86 GAA (0.61) GAAKDM4EMAPK1ALDH1A1POLB
SCHEMBL997791 0.81 MAPT (0.70) GAAKDM4EADRA1BALDH1A1POLB
SCHEMBL2992178 0.81 ADRA1B (0.60) GAAKDM4EMAPK1ADRA1BALDH1A1
SCHEMBL4487879 0.81 ADRA1B (0.55) GAAKDM4EADRA1BALDH1A1POLB
SCHEMBL5167461 0.80 IDO1 (0.46) GAAKDM4EMAPK1ALDH1A1POLB
SCHEMBL4491189 0.80 GAA (0.59) GAAKDM4EMAPK1ADRA1BALDH1A1
SCHEMBL1966640 0.80 TUBB4A (0.64) GAAKDM4EADRA1BALDH1A1POLB
Hydrochloric Acid SCHEMBL4496609 0.80 ADRA1B (0.54) GAAKDM4EADRA1BALDH1A1POLB

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 10 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
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-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
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 GAA 149/4885KDM4E 2907/4885MAPK1 4395/4885
US-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE SQLE, SGMS2, SGMS1 GAA 165/4885KDM4E 1727/4885MAPK1 3980/4885
US-20130281403-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES SQLE, ABCB1, FDPS GAA 140/4885KDM4E 2105/4885MAPK1 3871/4885

“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.