SCHEMBL8973479

SCHEMBL8973479

c1cc(-c2ccc(-c3ccc(C4=NCCN4)cc3)nc2)ccc1C1=NCCN1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 11/20 0.61
PDCD1LG2 Q9BQ51 1/20 0.58
CD274 Q9NZQ7 1/20 0.58
LMNA P02545 1/20 0.54
RECQL P46063 1/20 0.54
TOP2A P11388 2/20 0.53
TOP2B Q02880 2/20 0.53
HTR1D P28221 1/20 0.51
ADRA1A P35348 1/20 0.51

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
SCHEMBL5476725 0.81 NISCH (0.79) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL2781659 0.79 NISCH (0.74) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL8202110 0.76 NISCH (0.83) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL8141372 0.76 NISCH (1.00) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL2009403 0.75 NISCH (0.65) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL21507084 0.74 CD274 (1.00) NISCHPDCD1LG2CD274LMNARECQL
SCHEMBL8188355 0.74 LMNA (0.92) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL8202670 0.74 NISCH (0.69) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL8197880 0.74 NISCH (0.69) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL20836837 0.74 NISCH (0.62) NISCHPDCD1LG2CD274LMNARECQL

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 11 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-8101636-B2 Linear dicationic terphenyls and their aza analogues as antiparasitic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-24 US disclosed
US-8101636-B2 Linear dicationic terphenyls and their aza analogues as antiparasitic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-24 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 NISCH 158/4885PDCD1LG2 410/4885CD274 240/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS NISCH 326/4885PDCD1LG2 648/4885CD274 583/4885

“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.