SCHEMBL8973453

SCHEMBL8973453

CC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)nc2)cn1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 2/20 0.51
WDR5 P61964 1/20 0.40
NQO2 P16083 7/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TOP1 P11387 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL8973340 0.91 PRMT1 (0.56) PRMT1WDR5NQO2ALDH1A1TOP1
SCHEMBL8975569 0.89 PRMT1 (0.63) PRMT1WDR5NQO2NPC1ALDH1A1
SCHEMBL8975885 0.88 PRMT1 (0.46) PRMT1WDR5NQO2NPC1RAB9A
SCHEMBL8975918 0.85 PRMT1 (0.41) PRMT1WDR5NQO2NPC1RAB9A
SCHEMBL8975727 0.84 RXFP1 (0.44) PRMT1WDR5NQO2NPC1RAB9A
SCHEMBL14155330 0.84 PRMT1 (0.48) PRMT1WDR5NQO2NPC1RAB9A
SCHEMBL14369783 0.83 WDR5 (0.47) PRMT1WDR5NQO2NPC1ALDH1A1
SCHEMBL8975609 0.80 RXFP1 (0.49) PRMT1WDR5NQO2NPC1ALDH1A1
SCHEMBL8975490 0.80 PRMT1 (0.52) PRMT1WDR5NQO2NPC1RAB9A
SCHEMBL8975458 0.80 PRMT1 (0.44) PRMT1WDR5NQO2NPC1ALDH1A1

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 2 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

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-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS PRMT1 2522/4885WDR5 1227/4885NQO2 2186/4885

“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.