SCHEMBL997791

SCHEMBL997791

CC(C)(C)CC(C)(C)Nc1c(-c2ccc(F)cc2)nc2ccccn12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.70
POLB P06746 2/20 0.70
TP53 P04637 1/20 0.70
ADRA1B P35368 1/20 0.60
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 2/20 0.59
HPGD P15428 1/20 0.59
BACE1 P56817 3/20 0.55
BACE2 Q9Y5Z0 3/20 0.55
IDO1 P14902 1/20 0.55
TOP2A P11388 1/20 0.54
HDAC7 Q8WUI4 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
HDAC4 P56524 1/20 0.51
BRD4 O60885 1/20 0.50
GAA P10253 2/20 0.48
GFER P55789 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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 0.90 ADRA1B (0.73) MAPTPOLBTP53ADRA1BALDH1A1
SCHEMBL2992178 0.88 ADRA1B (0.60) MAPTPOLBTP53ADRA1BALDH1A1
SCHEMBL1966640 0.86 TUBB4A (0.64) MAPTPOLBTP53ADRA1BALDH1A1
SCHEMBL4487879 0.82 ADRA1B (0.55) MAPTPOLBTP53ADRA1BALDH1A1
Hydrochloric Acid SCHEMBL4496609 0.81 ADRA1B (0.54) MAPTPOLBTP53ADRA1BALDH1A1
SCHEMBL4491189 0.81 GAA (0.59) MAPTPOLBTP53ADRA1BALDH1A1
SCHEMBL997742 0.81 GAA (0.59) MAPTPOLBTP53ADRA1BALDH1A1
Hydrochloric Acid SCHEMBL4494976 0.81 GAA (0.58) MAPTPOLBTP53ADRA1BALDH1A1
SCHEMBL25416714 0.79 ADRA1B (0.91) MAPTADRA1BALDH1A1KDM4EHPGD
SCHEMBL1000693 0.79 POLB (0.50) MAPTPOLBTP53ADRA1BALDH1A1

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 MAPT 1239/4885POLB 2373/4885TP53 4070/4885
US-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE SQLE, SGMS2, SGMS1 MAPT 868/4885POLB 3148/4885TP53 4340/4885
US-20130281403-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES SQLE, ABCB1, FDPS MAPT 1020/4885POLB 3418/4885TP53 4077/4885

“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.