SCHEMBL777905

SCHEMBL777905

CNc1nc(N2CCCCC2)nc(N2CCNCC2)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
HRH1 P35367 1/20 0.69
ALDH1A1 P00352 3/20 0.60
CASP1 P29466 1/20 0.54
CASP4 P49662 1/20 0.54
CASP5 P51878 1/20 0.54
KDM4E B2RXH2 2/20 0.52
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
LMNA P02545 3/20 0.50
PDE4A P27815 2/20 0.50
MAPT P10636 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL24325504 0.93 HRH1 (0.61) USP2SMN1; SMN2TDP1HRH1ALDH1A1
SCHEMBL11507545 0.85 PDE4A (0.62) USP2SMN1; SMN2TDP1ALDH1A1KDM4E
SCHEMBL778188 0.85 SMN1; SMN2 (1.00) USP2SMN1; SMN2TDP1HRH1ALDH1A1
SCHEMBL2259115 0.85 HTR2A (0.52) USP2SMN1; SMN2TDP1HRH1ALDH1A1
SCHEMBL12293371 0.83 POLB (0.62) USP2SMN1; SMN2TDP1HRH1ALDH1A1
SCHEMBL8542091 0.83 HRH1 (1.00) USP2SMN1; SMN2TDP1HRH1ALDH1A1
SCHEMBL778158 0.81 HRH1 (0.47) USP2SMN1; SMN2TDP1HRH1ALDH1A1
SCHEMBL25722607 0.79 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL15922090 0.77 HRH1 (0.86) USP2SMN1; SMN2TDP1HRH1ALDH1A1
SCHEMBL1229731 0.77 HRH1 (0.85) USP2SMN1; SMN2TDP1HRH1ALDH1A1

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-20150057395-A1 Polytriazinyl Compounds as Flame Retardants and Light Stabilizers MCA TECHNOLOGIES GMBH (CH) 2015-02-26 US disclosed
US-20140011923-A1 Polytriazinyl Compounds as Flame Retardants and Light Stabilizers MCA TECHNOLOGIES GMBH (CH) 2014-01-09 US disclosed
US-20120245291-A1 Polytriazinyl Compounds as Flame Retardants and Light Stabilizers MCA TECHNOLOGIES GMBH (CH) 2012-09-27 US disclosed
US-8202924-B2 Polytriazinyl compounds as flame retardants and light stabilizers MCA TECHNOLOGIES GMBH (CH) 2012-06-19 US disclosed
US-20120071594-A1 POLYTRIAZINYL COMPOUNDS AS FLAME RETARDANTS AND LIGHT STABILIZERS MCA TECHNOLOGIES GMBH (CH) 2012-03-22 US disclosed
US-20090281215-A1 Polytriazinyl Compounds as Flame Retardants and Light Stabilizers MCA TECHNOLOGIES GMBH (CH) 2009-11-12 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 (2 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-20120071594-A1 POLYTRIAZINYL COMPOUNDS AS FLAME RETARDANTS AND LIGHT STABILIZERS PCBP1, PBRM1, TAF5 USP2 1267/4885SMN1; SMN2 2588/4885TDP1 473/4885
US-20090281215-A1 Polytriazinyl Compounds as Flame Retardants and Light Stabilizers PSMB5, POLL, F12 USP2 807/4885SMN1; SMN2 1885/4885TDP1 1726/4885

“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.