SCHEMBL9607815

SCHEMBL9607815

Nc1nnc(C2CC2c2ccccc2)c(N)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MAOB P27338 12/20 0.41
MAOA P21397 10/20 0.41
KDM1A O60341 5/20 0.41
CYP2C19 P33261 4/20 0.41
CYP2B6 P20813 3/20 0.41
HTR2C P28335 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
LMNA P02545 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2A6 P11509 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL1617571 0.73 CYP2D6 (0.41) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL1617569 0.73 CYP2D6 (0.41) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL8845464 0.71 MAOB (0.65) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL2261976 0.71 MAOB (0.65) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL10540521 0.71 MAOB (0.65) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL463895 0.68 MAOB (0.56) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL12922473 0.67 CSNK1A1 (0.43) CSNK1A1CLK4MAOACYP2D6ADRA1A
SCHEMBL24310573 0.65 BACE1 (0.44) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL29567102 0.65 HSP90AA1 (0.50) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL29567203 0.65 BACE1 (0.44) MAOBMAOAKDM1ACYP2C19CYP2B6

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-2451807-B1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2015-09-02 EP disclosed
US-8748600-B2 Cyclic triazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2014-06-10 US disclosed
US-8748600-B2 Cyclic triazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2014-06-10 US disclosed
US-20120135993-A1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2012-05-31 US disclosed
US-20120135993-A1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2012-05-31 US disclosed
WO-2011004196-A1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2011-01-13 WO 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-20120135993-A1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS SCN1B, HCN3, SCN5A CSNK1A1 862/4885CLK4 2470/4885MAOB 1297/4885

“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.