SCHEMBL16424809

SCHEMBL16424809

Cc1nc(N2CCN(c3cccc(Cl)n3)CC2)nc(=O)n1Cc1ccc(C(F)(F)F)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.40
HTR3B O95264 3/20 0.40
HTR3A P46098 3/20 0.40
HTR3D Q70Z44 3/20 0.40
HTR3C Q8WXA8 3/20 0.40
GNRHR P30968 1/20 0.37
ALDH1A1 P00352 2/20 0.35
PTPN11 Q06124 5/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
KMT2A Q03164 1/20 0.34
PIK3CB P42338 6/20 0.33
PIK3CD O00329 5/20 0.33
PIK3CG P48736 5/20 0.33
PIK3CA P42336 4/20 0.33
GRIN1 Q05586 3/20 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
SCHEMBL16424805 0.91 HTR3E (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16423058 0.87 C5AR1 (0.41) GNRHRPTPN11PIK3CBPIK3CDPIK3CG
SCHEMBL16423386 0.85 GNRHR (0.38) GNRHRALDH1A1PTPN11CYP1A2CYP2D6
SCHEMBL16423553 0.84 GNRHR (0.33) GNRHRPTPN11
SCHEMBL16422615 0.83 KMT2A (0.38) GNRHRALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL16425107 0.82 MLYCD (0.38) GNRHRALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL16422753 0.81 ALDH1A1 (0.41) GNRHRALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL16434853 0.81 C5AR1 (0.39) GNRHRPIK3CBPIK3CDPIK3CGPIK3CA
SCHEMBL16422966 0.81 MEN1 (0.44) GNRHRALDH1A1MEN1CYP1A2TSHR
SCHEMBL16423100 0.81 MEN1 (0.39) GNRHRALDH1A1MEN1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2832728-B1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL IND LTD (JP) 2018-09-05 EP disclosed
US-9403798-B2 Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-02 US disclosed
US-9403798-B2 Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-02 US disclosed
US-9403798-B2 Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-02 US disclosed
US-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL CORPORATION (JP) 2015-03-05 US disclosed
US-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL CORPORATION (JP) 2015-03-05 US disclosed
US-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL CORPORATION (JP) 2015-03-05 US disclosed
EP-2832728-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2015-02-04 EP disclosed
EP-2832728-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2015-02-04 EP 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 (1 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-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1E, CACNA1I, CACNA1G HTR3E 1259/4885HTR3B 834/4885HTR3A 978/4885

“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.