SCHEMBL1949484

SCHEMBL1949484

c1ccc(Cc2[nH]cnc2-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
TAAR1 Q96RJ0 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
LTB4R Q15722 1/20 0.40
CALM1 P0DP23 1/20 0.39
IDO1 P14902 3/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
ALOX15 P16050 1/20 0.38

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
SCHEMBL1952140 0.84 CYP3A4 (0.52) KDM4ECYP3A4MAPTTAAR1HRH3
SCHEMBL27707292 0.79 KDM4E (0.55) KDM4ECYP3A4MAPTADORA3ADORA2A
SCHEMBL27554380 0.79 KDM4E (0.55) KDM4ECYP3A4MAPTADORA3ADORA2A
SCHEMBL1566538 0.79 KDM4E (0.55) KDM4ECYP3A4MAPTADORA3ADORA2A
SCHEMBL4959700 0.79 KDM4E (0.55) KDM4ECYP3A4MAPTADORA3ADORA2A
SCHEMBL14409315 0.74 KDM4E (0.49) KDM4ECYP3A4MAPTADORA3ADORA2A
SCHEMBL11315854 0.73 LTB4R (0.42) KDM4ECYP3A4MAPTTAAR1HRH3
SCHEMBL2950095 0.71 GPR84 (0.48) KDM4ECYP3A4MAPTADORA3ADORA2A
SCHEMBL18642527 0.70 NR1H2 (0.42) KDM4ELTB4RCALM1IDO1ALDH1A1
SCHEMBL1502457 0.70 CYP3A4 (0.58) KDM4ECYP3A4MAPTTAAR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 US disclosed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
WO-2009132238-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-10-29 WO 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-20140323740-A1 IDO Inhibitors IDO1, IDO2, INMT KDM4E 271/4885CYP3A4 250/4885MAPT 3678/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT KDM4E 271/4885CYP3A4 250/4885MAPT 3678/4885

“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.