SCHEMBL8975348

SCHEMBL8975348

N=C(N)c1cnc(-c2ccc(-c3cnc(C(=N)N)cn3)cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 4/20 0.44
GSK3B P49841 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
MAPK1 P28482 2/20 0.34
WDR5 P61964 1/20 0.33
RIPK1 Q13546 1/20 0.32
BCHE P06276 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TOP1 P11387 1/20 0.31
HPGD P15428 1/20 0.31
NQO2 P16083 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SIRT6 Q8N6T7 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
SCHEMBL14369768 0.91 PRMT1 (0.39) PRMT1GSK3BHSD17B1HSD17B2MAPK1
SCHEMBL8975490 0.87 PRMT1 (0.52) PRMT1MAPK1WDR5ALDH1A1TOP1
SCHEMBL2013410 0.81 WDR5 (0.54) PRMT1WDR5ALDH1A1TOP1HPGD
Hydrochloric Acid SCHEMBL2008037 0.79 WDR5 (0.52) PRMT1WDR5ALDH1A1TOP1HPGD
SCHEMBL8975885 0.76 PRMT1 (0.46) PRMT1WDR5NQO2
SCHEMBL8949184 0.76 DGAT1 (0.48) PRMT1
SCHEMBL8975569 0.74 PRMT1 (0.63) PRMT1WDR5ALDH1A1TOP1HPGD
SCHEMBL8973334 0.74 PRMT1 (0.59) PRMT1GSK3BWDR5ALDH1A1HPGD
SCHEMBL12572427 0.73 WDR5 (0.46) PRMT1WDR5ALDH1A1TOP1HPGD
SCHEMBL29907612 0.72 NPC1 (0.50) GSK3BMAPK1ALDH1A1HPGDSIRT6

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188121-B2 Substituted pyridines as antiparasitic AZA teraryl compounds THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-05-29 US disclosed
US-8188121-B2 Substituted pyridines as antiparasitic AZA teraryl compounds THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-05-29 US disclosed
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS TIDWELL RICHARD R 2011-10-20 US disclosed
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS TIDWELL RICHARD R 2011-10-20 US disclosed
US-7964619-B2 Teraryl components as antiparasitic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-06-21 US disclosed
US-7964619-B2 Teraryl components as antiparasitic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-06-21 US disclosed
EP-1949896-A2 Linear dicationic terphenyls and their aza analogues as antiparasitic agents The University of North Carolina At Chapel Hill (US) 2008-07-30 EP disclosed
US-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2007-10-04 US disclosed
US-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2007-10-04 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-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT PRMT1 2351/4885GSK3B 4028/4885HSD17B1 4256/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS PRMT1 2522/4885GSK3B 2950/4885HSD17B1 3381/4885

“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.