SCHEMBL16534786

SCHEMBL16534786

O=c1nc(N2CCN(c3ccc(F)cc3)CC2)ncn1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.45
▸ PIK3CA P42336 1/20 0.45
▸ PIK3CB P42338 1/20 0.45
▸ MAPT P10636 5/20 0.44
▸ LMNA P02545 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ TACR1 P25103 2/20 0.43
▸ TP53 P04637 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ GLA P06280 1/20 0.41
▸ GALR3 O60755 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD5 P21918 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ROCK2 O75116 1/20 0.40

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
SCHEMBL16423059 0.89 KMT2A (0.49) PIK3CDPIK3CAPIK3CBMAPTLMNA
SCHEMBL16534776 0.88 ADRA1D (0.42) MAPTALDH1A1GLATSHRHSD17B10
SCHEMBL16425095 0.87 LMNA (0.41) MAPTLMNAALDH1A1TP53TSHR
SCHEMBL16422759 0.86 SMN1; SMN2 (0.47) PIK3CDPIK3CBMAPTLMNATP53
SCHEMBL16422999 0.86 HPGD (0.48) PIK3CDPIK3CAPIK3CBMAPTLMNA
SCHEMBL16434882 0.81 ALDH1A1 (0.44) MAPTLMNAALDH1A1TACR1GALR3
SCHEMBL16534658 0.81 NR1H2 (0.42) MAPTALDH1A1TP53GLATSHR
SCHEMBL16423186 0.81 SMN1; SMN2 (0.40) MAPTLMNAALDH1A1RXFP1TSHR
SCHEMBL16422981 0.81 SMO (0.47) MAPTALDH1A1GLATSHRHSD17B10
SCHEMBL17955519 0.80 TSHR (0.42) MAPTLMNAALDH1A1GLATSHR

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-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

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 PIK3CD 3264/4885PIK3CA 3829/4885PIK3CB 3866/4885

“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.

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