SCHEMBL997306

SCHEMBL997306

Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3ccc(C)cn23)cc1

nearest known ligand 0.87

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 10/20 0.87
GAA P10253 13/20 0.74
MAPT P10636 12/20 0.74
PKM P14618 1/20 0.69
PKLR P30613 1/20 0.69
SMN1; SMN2 Q16637 3/20 0.64
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 2/20 0.64
HPGD P15428 2/20 0.64
POLB P06746 3/20 0.62
NR1H4 Q96RI1 1/20 0.62
HTT P42858 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL998159 0.86 TP53 (0.65) TP53GAAMAPTPKMPKLR
SCHEMBL998613 0.85 MAPT (0.74) TP53GAAMAPTPKMPKLR
SCHEMBL14022521 0.85 MAPT (0.74) TP53GAAMAPTPKMPKLR
SCHEMBL12781715 0.82 MAPT (0.76) TP53GAAMAPTPKMPKLR
SCHEMBL998959 0.80 GAA (0.88) TP53GAAMAPTPKMSMN1; SMN2
SCHEMBL29074016 0.79 TP53 (0.73) TP53GAAMAPTSMN1; SMN2KDM4E
SCHEMBL14022604 0.78 MAPT (0.87) TP53GAAMAPTPKMPKLR
SCHEMBL12781720 0.77 TP53 (0.59) TP53GAAMAPTPKMPKLR
SCHEMBL2068661 0.76 GABRA1 (0.55) TP53GAAMAPTPKMPKLR
SCHEMBL19815919 0.76 MAPT (0.88) TP53GAAMAPTPKMPKLR

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE NOVARTIS AG (CH) 2016-04-21 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-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
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 TP53 4070/4885GAA 149/4885MAPT 1239/4885
US-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE SQLE, SGMS2, SGMS1 TP53 4340/4885GAA 165/4885MAPT 868/4885
US-20130281403-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES SQLE, ABCB1, FDPS TP53 4077/4885GAA 140/4885MAPT 1020/4885

“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.