SCHEMBL8975727

SCHEMBL8975727

CC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)nc2)nc1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.44
NQO2 P16083 8/20 0.44
NPC1 O15118 2/20 0.44
LDHA P00338 1/20 0.44
PRMT1 Q99873 1/20 0.43
HPGDS O60760 1/20 0.42
BAZ2B Q9UIF8 1/20 0.42
WDR5 P61964 1/20 0.42
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL14369783 0.95 WDR5 (0.47) RXFP1NQO2NPC1LDHAPRMT1
SCHEMBL8975609 0.90 RXFP1 (0.49) RXFP1NQO2NPC1LDHAPRMT1
SCHEMBL8975885 0.85 PRMT1 (0.46) RXFP1NQO2NPC1LDHAPRMT1
SCHEMBL12572427 0.85 WDR5 (0.46) NQO2PRMT1WDR5
SCHEMBL8975475 0.84 WDR5 (0.53) RXFP1NQO2NPC1LDHAPRMT1
SCHEMBL8975918 0.84 PRMT1 (0.41) RXFP1NQO2NPC1PRMT1WDR5
SCHEMBL8973453 0.84 PRMT1 (0.51) RXFP1NQO2NPC1PRMT1WDR5
SCHEMBL20428452 0.80 KDM1A (0.46) RXFP1NQO2NPC1LDHABAZ2B
SCHEMBL8975490 0.79 PRMT1 (0.52) RXFP1NQO2NPC1LDHAPRMT1
SCHEMBL8975569 0.79 PRMT1 (0.63) RXFP1NQO2NPC1LDHAPRMT1

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 3 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-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS TIDWELL RICHARD R 2011-10-20 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 RXFP1 4630/4885NQO2 2112/4885NPC1 1749/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS RXFP1 4635/4885NQO2 2186/4885NPC1 688/4885

“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.