SCHEMBL2014164

SCHEMBL2014164

N#Cc1ncc(-c2ccc(Br)cc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
ERBB2 P04626 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PTGES O14684 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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 0.89 EGLN2 (0.44) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL9024270 0.81 CYP11B2 (0.50) ALDH1A1EGLN2CYP11B2
SCHEMBL17742851 0.79 EGLN2 (0.39) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL11751395 0.79 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL17754184 0.79 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL1509663 0.78 RAB9A (0.54) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL2008653 0.78 CHEK1 (0.45) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL236034 0.77
SCHEMBL7731770 0.77 EGLN2 (0.40) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL17752215 0.75 KIF11 (0.58) NPC1RAB9AKMT2AALDH1A1EGLN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108976212-A Fluorene derivative and its application in luminous organic material 北京鼎材科技有限公司 2018-12-11 CN disclosed
CN-106831773-A Compound containing 9, 9' -spiroacridine and preparation method and application thereof 华南理工大学 2017-06-13 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-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
CN-101270081-A Linear dicationic terphenyls and aza analogs thereof as antiparasitic agents UNIV GEORGIA STATE (US) 2008-09-24 CN 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

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 NPC1 1749/4885RAB9A 1623/4885SMN1; SMN2 4834/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS NPC1 688/4885RAB9A 734/4885SMN1; SMN2 4870/4885

“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.