SCHEMBL15764704

SCHEMBL15764704

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.38
GRIN2B Q13224 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
NTRK1 P04629 5/20 0.35
GPBAR1 Q8TDU6 3/20 0.34
GPR119 Q8TDV5 3/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
TACR2 P21452 1/20 0.33
TACR1 P25103 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
MAPK14 Q16539 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
SCHEMBL15718299 0.93 GRIN1 (0.40) GRIN1GRIN2BL3MBTL1NTRK1GPBAR1
SCHEMBL15717380 0.88 RET (0.39) GRIN1GRIN2BL3MBTL1NTRK1GPBAR1
SCHEMBL17309051 0.88 GRIN2B (0.35) GRIN1GRIN2BNTRK1
SCHEMBL15718306 0.86 NTRK1 (0.40) GRIN1GRIN2BNTRK1GPBAR1TACR2
SCHEMBL17309068 0.86 CACNA1H (0.33) NTRK1
SCHEMBL15764750 0.85 KCNH2 (0.40) GPBAR1PTGDR2
SCHEMBL15718173 0.84 GPBAR1 (0.38) GRIN1GRIN2BNTRK1GPBAR1PTGDR2
SCHEMBL15718359 0.83 GPBAR1 (0.41) GRIN1GRIN2BGPBAR1PTGDR2
SCHEMBL15764709 0.82 GRIN1 (0.36) GRIN1GRIN2BNTRK1GPR119TACR2
SCHEMBL15739668 0.81 L3MBTL1 (0.38) GRIN1GRIN2BL3MBTL1GPBAR1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2016-11-17 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 (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-20150011522-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 GRIN1 1919/4885GRIN2B 3351/4885L3MBTL1 3708/4885
US-20140155367-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 GRIN1 1919/4885GRIN2B 3351/4885L3MBTL1 3708/4885
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 GRIN1 1919/4885GRIN2B 3351/4885L3MBTL1 3708/4885

“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.