SCHEMBL397141

SCHEMBL397141

N#Cc1ccc(-c2ccc(-c3ccc(C#N)cc3)c(F)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.61
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
MMP3 P08254 1/20 0.47
PDK2 Q15119 1/20 0.45
PTGS1 P23219 1/20 0.45
CYP11B1 P15538 4/20 0.44
CYP11B2 P19099 4/20 0.44
RORC P51449 1/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
PGR P06401 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
GCGR P47871 1/20 0.40
MAPK14 Q16539 1/20 0.40
NSD2 O96028 1/20 0.40
MAP4K4 O95819 1/20 0.39

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
SCHEMBL18499494 0.93 KIF11 (0.54) KIF11PDE3BPDE3AMMP3PDK2
SCHEMBL15834358 0.93 KIF11 (0.54) KIF11PDE3BPDE3AMMP3PDK2
SCHEMBL19308493 0.93 KIF11 (0.54) KIF11PDE3BPDE3AMMP3PDK2
SCHEMBL27806612 0.92 KIF11 (0.51) KIF11PDE3BPDE3AMMP3PDK2
SCHEMBL91992 0.91 ALDH1A1 (0.53) KIF11PDE3BPDE3AMMP3PDK2
SCHEMBL15834317 0.91 MMP3 (0.63) KIF11PDE3BPDE3AMMP3PDK2
SCHEMBL91862 0.91 ALDH1A1 (0.53) KIF11PDE3BPDE3AMMP3PDK2
SCHEMBL17946137 0.87 CYP2A6 (0.58) KIF11PDE3BPDE3ACYP11B2RORC
SCHEMBL15834346 0.87 KIF11 (0.49) KIF11PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL20160874 0.87 LOXL2 (0.58) KIF11PDE3BPDE3ARORCNSD2

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
CN-110003179-A A kind of material and its preparation method and application with criss-cross construction feature 山东师范大学 2019-07-12 CN 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-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 KIF11 2481/4885PDE3B 1633/4885PDE3A 1511/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS KIF11 3474/4885PDE3B 1502/4885PDE3A 1856/4885
US-20060293328-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT KIF11 2481/4885PDE3B 1633/4885PDE3A 1511/4885

“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.