SCHEMBL15717853

SCHEMBL15717853

CN(C(=O)c1ccc(C(F)(F)F)cn1)c1ccn2ncc(-c3ccc(C(F)(F)F)cc3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
NTRK1 P04629 5/20 0.36
GPR119 Q8TDV5 4/20 0.36
MCHR1 Q99705 2/20 0.35
SCN9A Q15858 3/20 0.34
LIPE Q05469 2/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.33
MAP4K4 O95819 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
SCHEMBL15762388 0.93 NTRK1 (0.38) GRIN1GRIN2BNTRK1GPR119MCHR1
SCHEMBL15717420 0.93 NTRK1 (0.37) GRIN1GRIN2BNTRK1GPR119MCHR1
SCHEMBL15764709 0.93 GRIN1 (0.36) KMT2AGRIN1GRIN2BNTRK1GPR119
SCHEMBL15717246 0.84 MCHR1 (0.40) NTRK1MCHR1GPBAR1
SCHEMBL15718266 0.83 MCHR1 (0.38) GRIN1GRIN2BNTRK1MCHR1GPBAR1
SCHEMBL15762387 0.83 MCHR1 (0.38) GRIN1GRIN2BNTRK1MCHR1GPBAR1
SCHEMBL15718134 0.83 TACR1 (0.46) MCHR1GPBAR1
SCHEMBL15717802 0.82 MCHR1 (0.37) GRIN1GRIN2BNTRK1GPR119MCHR1
SCHEMBL15717796 0.82 CYP11B2 (0.41) MCHR1GPBAR1
SCHEMBL15717611 0.81 KCNH2 (0.44) MCHR1GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190030009-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CRYPTOSPORIDIOSIS NOVARTIS AG (CH) 2019-01-31 US claimed
EP-2925757-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2017-10-04 EP claimed
US-9556169-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-01-31 US claimed
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2016-11-17 US claimed
US-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-12-03 US claimed
US-20150011522-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2015-01-08 US claimed
US-8871754-B2 Compounds and compositions for the treatment of parasitic diseases IRM LLC (BM) 2014-10-28 US claimed
US-20140155367-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2014-06-05 US claimed
US-20190030009-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CRYPTOSPORIDIOSIS NOVARTIS AG (CH) 2019-01-31 US disclosed
US-20190030009-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CRYPTOSPORIDIOSIS NOVARTIS AG (CH) 2019-01-31 US disclosed
US-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 US disclosed
US-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 US disclosed
EP-2925757-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2017-10-04 EP disclosed
WO-2017125898-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CRYPTOSPORIDIOSIS NOVARTIS AG (CH) 2017-07-27 WO disclosed
EP-2925757-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES Novartis AG (CH) 2015-10-07 EP disclosed
US-20150011522-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2015-01-08 US disclosed
US-8871754-B2 Compounds and compositions for the treatment of parasitic diseases IRM LLC (BM) 2014-10-28 US disclosed
US-20140155367-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2014-06-05 US disclosed
WO-2014078802-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 WO disclosed
WO-2014078802-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 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 (5 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-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 KMT2A 2258/4885GRIN1 1919/4885GRIN2B 3351/4885
US-20150011522-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 KMT2A 2258/4885GRIN1 1919/4885GRIN2B 3351/4885
US-20140155367-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 KMT2A 2258/4885GRIN1 1919/4885GRIN2B 3351/4885
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 KMT2A 2258/4885GRIN1 1919/4885GRIN2B 3351/4885
US-20190030009-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CRYPTOSPORIDIOSIS PI4KA, PI4K2A, PIP4K2A KMT2A 1882/4885GRIN1 1576/4885GRIN2B 3317/4885

“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.