SCHEMBL15717896

SCHEMBL15717896

CN(C(=O)c1ccn2ncc(-c3ccc(C(F)(F)F)cc3)c2c1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.48
TACR1 P25103 4/20 0.46
TACR2 P21452 3/20 0.46
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RX1 P51575 1/20 0.40
MLYCD O95822 2/20 0.39
LIPE Q05469 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MCHR1 Q99705 1/20 0.38
LTC4S Q16873 1/20 0.37
LMNA P02545 1/20 0.36
CHEK2 O96017 1/20 0.36

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
SCHEMBL15717119 0.91 MLYCD (0.39) GPBAR1TACR1TACR2MLYCDMCHR1
SCHEMBL15718134 0.90 TACR1 (0.46) GPBAR1TACR1TACR2P2RX1MLYCD
SCHEMBL15717894 0.89 CYP11B2 (0.41) GPBAR1MLYCD
SCHEMBL15717240 0.89 SCN5A (0.40) GPBAR1TACR1TACR2MLYCDSMN1; SMN2
SCHEMBL31288895 0.87 CHEK2 (0.40) GPBAR1TACR1TACR2MEN1KMT2A
SCHEMBL15718262 0.86 PIK3CD (0.50) GPBAR1TACR1TACR2MEN1KMT2A
SCHEMBL17309057 0.86 ALDH1A1 (0.37) GPBAR1TACR1TACR2MEN1KMT2A
SCHEMBL15717764 0.86 CHEK2 (0.48) GPBAR1TACR1TACR2MEN1KMT2A
SCHEMBL15718256 0.85 GRM2 (0.37) GPBAR1TACR1TACR2MLYCD
SCHEMBL31288864 0.84 MEN1 (0.46) MEN1KMT2ASMN1; SMN2LMNACHEK2

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 38 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-3405468-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CRYPTOSPORIDIOSIS Novartis AG (CH) 2018-11-28 EP claimed
EP-2925757-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2017-10-04 EP claimed
WO-2017125898-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CRYPTOSPORIDIOSIS NOVARTIS AG (CH) 2017-07-27 WO 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
EP-2925757-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES Novartis AG (CH) 2015-10-07 EP 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
WO-2014078802-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 WO claimed
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
US-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 US disclosed
US-20140155367-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2014-06-05 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 GPBAR1 43/4885TACR1 616/4885TACR2 1992/4885
US-20150011522-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 GPBAR1 43/4885TACR1 616/4885TACR2 1992/4885
US-20140155367-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 GPBAR1 43/4885TACR1 616/4885TACR2 1992/4885
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 GPBAR1 43/4885TACR1 616/4885TACR2 1992/4885
US-20190030009-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CRYPTOSPORIDIOSIS PI4KA, PI4K2A, PIP4K2A GPBAR1 1094/4885TACR1 4147/4885TACR2 3888/4885

“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.