SCHEMBL778158

SCHEMBL778158

CNc1nc(Cl)nc(N2CCNCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
USP2 O75604 1/20 0.46
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 2/20 0.41
CASP1 P29466 1/20 0.41
CASP4 P49662 1/20 0.41
CASP5 P51878 1/20 0.41
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE4A P27815 2/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
IDH2 P48735 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
SCHEMBL24325504 0.88 HRH1 (0.61) HRH1SMN1; SMN2TDP1USP2KMT2A
SCHEMBL5712191 0.82 HRH1 (0.61) HRH1SMN1; SMN2TDP1USP2KMT2A
SCHEMBL777905 0.81 USP2 (0.72) HRH1SMN1; SMN2TDP1USP2KMT2A
SCHEMBL2240205 0.81 HTR1A (0.50) KMT2A
SCHEMBL2259115 0.80 HTR2A (0.52) HRH1SMN1; SMN2TDP1USP2KMT2A
SCHEMBL12490124 0.80 SMN1; SMN2 (0.63) SMN1; SMN2TDP1KMT2AALDH1A1MAPK1
SCHEMBL12293371 0.79 POLB (0.62) HRH1SMN1; SMN2TDP1USP2KMT2A
SCHEMBL778177 0.75 USP2 (0.81) HRH1SMN1; SMN2TDP1USP2KMT2A
SCHEMBL22631949 0.75 HRH1 (0.53) HRH1SMN1; SMN2TDP1USP2ALDH1A1
SCHEMBL15741416 0.73 HTR1A (0.49)

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 HRH1 1974/4885SMN1; SMN2 2588/4885TDP1 473/4885
US-20090281215-A1 Polytriazinyl Compounds as Flame Retardants and Light Stabilizers PSMB5, POLL, F12 HRH1 252/4885SMN1; 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.