SCHEMBL9020107

SCHEMBL9020107

N#Cc1cnc(-c2ccc(-c3cnc(C#N)cn3)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 2/20 0.46
CTSC P53634 1/20 0.39
CHEK1 O14757 3/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMO O15229 1/20 0.37
KDM1A O60341 1/20 0.37
MCHR1 Q99705 1/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34

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
SCHEMBL4478958 0.90 MEN1 (0.43) EGLN2KDM4EALDH1A1HPGDMAPT
SCHEMBL7280430 0.90 EGLN2 (0.41) EGLN2CTSCCHEK1KDM4EALDH1A1
SCHEMBL7277326 0.90 MMP3 (0.44) EGLN2CTSCALDH1A1HPGDL3MBTL1
SCHEMBL5235963 0.90 KDM4E (0.47) EGLN2CHEK1KDM4EALDH1A1HPGD
SCHEMBL7275344 0.87 KDM4E (0.53) KDM4EALDH1A1HPGDL3MBTL1GAA
SCHEMBL9024387 0.86 KDM1A (0.49) EGLN2CTSCKDM4EALDH1A1HPGD
SCHEMBL8975181 0.84 EGLN2 (0.38) EGLN2CTSCCHEK1KDM4EALDH1A1
SCHEMBL2013423 0.83 PIK3CD (0.42) EGLN2CTSCCHEK1KDM4EALDH1A1
SCHEMBL20209399 0.83 TRPA1 (0.48) CHEK1KDM4EALDH1A1KDM1AGAA
SCHEMBL8975630 0.80 EGLN2 (0.35) EGLN2CTSCKDM4EALDH1A1HPGD

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 5 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-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

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 EGLN2 4693/4885CTSC 809/4885CHEK1 1684/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS EGLN2 4620/4885CTSC 249/4885CHEK1 1747/4885

“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.