SCHEMBL15764709

SCHEMBL15764709

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
GPR119 Q8TDV5 5/20 0.35
MLNR O43193 4/20 0.35
KMT2A Q03164 1/20 0.34
SCN9A Q15858 3/20 0.34
NTRK1 P04629 4/20 0.34
POLQ O75417 1/20 0.33
TACR2 P21452 1/20 0.33
TACR1 P25103 1/20 0.33
SCN10A Q9Y5Y9 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
SCHEMBL15717853 0.93 KMT2A (0.38) GRIN1GRIN2BGPR119KMT2ASCN9A
SCHEMBL15764753 0.88 MLNR (0.42) GRIN2BMLNR
SCHEMBL15762388 0.86 NTRK1 (0.38) GRIN1GRIN2BGPR119NTRK1
SCHEMBL15717420 0.86 NTRK1 (0.37) GRIN1GRIN2BGPR119MLNRNTRK1
SCHEMBL15764708 0.82 CSF1R (0.37) MLNR
SCHEMBL15764704 0.82 GRIN1 (0.38) GRIN1GRIN2BGPR119NTRK1TACR2
SCHEMBL15764707 0.79 MLNR (0.41) GRIN2BMLNR
SCHEMBL17309060 0.79 MAPK14 (0.38) MLNRTACR2TACR1
SCHEMBL15717246 0.78 MCHR1 (0.40) MLNRNTRK1TACR2TACR1
SCHEMBL15718266 0.77 MCHR1 (0.38) GRIN1GRIN2BNTRK1TACR2TACR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556169-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-01-31 US disclosed
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2016-11-17 US disclosed
US-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-12-03 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 GRIN1 1919/4885GRIN2B 3351/4885GPR119 1169/4885
US-20150011522-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 GRIN1 1919/4885GRIN2B 3351/4885GPR119 1169/4885
US-20140155367-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 GRIN1 1919/4885GRIN2B 3351/4885GPR119 1169/4885
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 GRIN1 1919/4885GRIN2B 3351/4885GPR119 1169/4885

“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.