SCHEMBL2009241

SCHEMBL2009241

N#Cc1ccc(-c2cnc(-c3ccc(C#N)cc3)cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.53
GABRA1 P14867 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GAA P10253 1/20 0.48
CYP11B2 P19099 2/20 0.48
MMP3 P08254 1/20 0.48
RIPK1 Q13546 1/20 0.47
PARP1 P09874 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
CYP11B1 P15538 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NOTUM Q6P988 1/20 0.44
TPH1 P17752 1/20 0.44

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
SCHEMBL10461016 0.88 MMP3 (0.48) KDM1AGABRA1GABRG2GABRB3GABRA5
SCHEMBL13986853 0.86 KDM4E (0.59) KDM1AGABRA1GABRG2GABRB3GABRA5
SCHEMBL9021143 0.86 KDM1A (0.58) KDM1AGABRA1GABRG2GABRB3GABRA5
SCHEMBL8975286 0.85 KDM1A (0.43) KDM1AGABRA1GABRG2GABRB3GABRA5
SCHEMBL9022425 0.85 KDM4E (0.58) KDM1AGABRA1GABRG2GABRB3GABRA5
SCHEMBL9021665 0.84 KDM4E (0.61) KDM1AGABRA1GABRG2GABRB3GABRA5
SCHEMBL9024387 0.84 KDM1A (0.49) KDM1AGABRA1GABRG2GABRB3GABRA5
SCHEMBL9024311 0.83 KDM4E (0.56) KDM1AGABRA1GABRG2GABRB3GABRA5
SCHEMBL26506121 0.81 CYP11B2 (0.55) KDM1AGABRA1GABRG2GABRB3GABRA5
SCHEMBL9021314 0.80 KDM1A (0.53) KDM1AGABRA1GABRG2GABRB3GABRA5

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 10 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-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
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

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 KDM1A 811/4885GABRA1 1390/4885GABRG2 2322/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS KDM1A 1454/4885GABRA1 2744/4885GABRG2 3680/4885

“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.