SCHEMBL16422633

SCHEMBL16422633

O=c1nc(NC2CCN(c3ccc(F)cc3)C2)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 3/20 0.42
▸ CDK2 P24941 3/20 0.42
▸ MAPK3 P27361 3/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ MAPT P10636 3/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PRKAA2 P54646 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ ACHE P22303 2/20 0.38
▸ BACE1 P56817 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL16422632 1.00 CCNA2 (0.42) CCNA2CDK2MAPK3MAPK1MAPT
SCHEMBL16422560 0.94 KAT2B (0.41) CCNA2CDK2MAPK3MAPK1MAPT
SCHEMBL16422299 0.94 KAT2B (0.41) CCNA2CDK2MAPK3MAPK1MAPT
SCHEMBL16422298 0.94 KAT2B (0.41) CCNA2CDK2MAPK3MAPK1MAPT
SCHEMBL16423109 0.94 MAPT (0.46) CCNA2CDK2MAPK3MAPK1MAPT
SCHEMBL16422717 0.88 ROCK2 (0.46) CCNA2CDK2MAPK3MAPK1PRKAA2
SCHEMBL16423052 0.88 ROCK2 (0.46) CCNA2CDK2MAPK3MAPK1PRKAA2
SCHEMBL16422715 0.88 ROCK2 (0.46) CCNA2CDK2MAPK3MAPK1PRKAA2
SCHEMBL16544632 0.85 MAPT (0.40) MAPK1MAPTMEN1KMT2AGAA
SCHEMBL16423340 0.85 MAPT (0.40) MAPK1MAPTMEN1KMT2AGAA

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
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-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

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 CCNA2 746/4885CDK2 446/4885MAPK3 1744/4885

“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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