SCHEMBL16544559

SCHEMBL16544559

BCc1ncn(CC)c(=O)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ ADORA2A P29274 4/20 0.33
▸ PDE4A P27815 3/20 0.33
▸ PDE4B Q07343 3/20 0.33
▸ PDE4C Q08493 3/20 0.33
▸ PDE4D Q08499 3/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ PI4KA P42356 1/20 0.32
▸ PI4K2B Q8TCG2 1/20 0.32
▸ PI4K2A Q9BTU6 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32
▸ RAB9A P51151 2/20 0.31
▸ BRD4 O60885 2/20 0.31
▸ BRD2 P25440 1/20 0.31

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
SCHEMBL16544558 0.81 LMNA (0.32) ADORA2BTSHR
SCHEMBL18033547 0.75 ALDH1A1 (0.38) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL12724275 0.73 CDK1 (0.47) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL25065522 0.67 ADORA2A (0.36) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL27909114 0.64 — —
SCHEMBL14084793 0.63 ADORA2B (0.46) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL13066618 0.62 NPSR1 (0.34) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL25153747 0.59 ADORA2A (0.38) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL11098685 0.59 ADORA2A (0.45) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL26248663 0.59 ADORA2A (0.55) ADORA2APDE4APDE4BPDE4CPDE4D

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 2 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-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 CDK1 579/4885CCNB1 1007/4885CCNE1 922/4885

“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.

Send feedback