SCHEMBL2012301

SCHEMBL2012301

N#Cc1ncc(-c2ccc(Cl)nc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.52
CYP2A6 P11509 1/20 0.48
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
NOTUM Q6P988 1/20 0.41
CYP11B2 P19099 2/20 0.40
EGLN2 Q96KS0 1/20 0.38
AR P10275 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KMO O15229 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP11B1 P15538 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL9020421 0.83 EGLN2 (0.44) PIK3CDNPC1RAB9ACYP11B2EGLN2
SCHEMBL2011764 0.80 PIK3CD (0.52) PIK3CDCYP2A6NPC1RAB9ANOTUM
SCHEMBL1744144 0.80 PIK3CD (0.52) PIK3CDCYP2A6NPC1RAB9ANOTUM
SCHEMBL1662273 0.80 PIK3CD (0.73) PIK3CDCYP2A6NPC1RAB9ANOTUM
SCHEMBL9024270 0.75 CYP11B2 (0.50) CYP2A6NOTUMCYP11B2EGLN2ALDH1A1
SCHEMBL2014164 0.73 NPC1 (0.50) NPC1RAB9ACYP11B2EGLN2ALDH1A1
SCHEMBL17742851 0.73 EGLN2 (0.39) PIK3CDNPC1RAB9ACYP11B2EGLN2
SCHEMBL11751395 0.73 ALDH1A1 (0.43) CYP2A6NPC1RAB9ACYP11B2EGLN2
SCHEMBL17754184 0.73 ALDH1A1 (0.43) CYP2A6NPC1RAB9ACYP11B2EGLN2
SCHEMBL1509663 0.72 RAB9A (0.54) NPC1RAB9ANOTUMEGLN2ALDH1A1

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 14 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-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-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
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
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
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 PIK3CD 991/4885CYP2A6 869/4885NPC1 1749/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS PIK3CD 816/4885CYP2A6 1507/4885NPC1 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.