SCHEMBL395960

SCHEMBL395960

CNC(=N)Nc1ccc(-c2ccc(-c3ccc(NC(=N)NC)cn3)cc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.50
PTPN2 P17706 2/20 0.49
PTPN6 P29350 1/20 0.48
PTPN11 Q06124 1/20 0.48
BAZ2B Q9UIF8 1/20 0.41
AURKA O14965 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
LCK P06239 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
MET P08581 1/20 0.38
PDGFRB P09619 1/20 0.38
PIM1 P11309 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT3 P36888 1/20 0.38
MAPK8 P45983 1/20 0.38
CDK8 P49336 1/20 0.38
MAP2K1 Q02750 1/20 0.38
MAP4K2 Q12851 1/20 0.38

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
SCHEMBL8974170 0.79 PTPN1 (0.51) PTPN1PTPN2PTPN6PTPN11AURKA
SCHEMBL30122916 0.77 SMN1; SMN2 (0.48) PTPN1PTPN11
SCHEMBL397133 0.74 PTPN1 (0.49) PTPN1PTPN2PTPN6PTPN11WNT3A
SCHEMBL10092632 0.71 PTPN1 (0.51) PTPN1PTPN2PTPN6PTPN11AURKA
SCHEMBL14378880 0.71 WNT3A (0.51) PTPN1PTPN2PTPN6PTPN11BAZ2B
SCHEMBL28103663 0.70 TDP1 (0.59) PTPN1PTPN2PTPN6PTPN11AURKA
SCHEMBL19382690 0.70 ALDH1A1 (0.47) NPC1
SCHEMBL1744310 0.69 PTPN1 (0.55) PTPN1PTPN2PTPN6PTPN11AURKA
SCHEMBL6673320 0.69 AURKA (0.55) PTPN1PTPN2PTPN6PTPN11BAZ2B
SCHEMBL22580114 0.69 KMT2A (0.43) NPC1

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-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 claimed
US-20060293328-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TIDWELL RICHARD R 2006-12-28 US claimed
EP-1736466-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents The University of North Carolina at Chapel Hill (US) 2006-12-27 EP claimed
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-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
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-20060293328-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TIDWELL RICHARD R 2006-12-28 US disclosed
EP-1736466-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents The University of North Carolina at Chapel Hill (US) 2006-12-27 EP 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 (3 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 PTPN1 1333/4885PTPN2 1243/4885PTPN6 982/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS PTPN1 2854/4885PTPN2 2353/4885PTPN6 2478/4885
US-20060293328-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT PTPN1 1333/4885PTPN2 1243/4885PTPN6 982/4885

“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.