SCHEMBL12166116

SCHEMBL12166116

COC(=O)c1cnccc1-n1c2ccc(Br)cc2c2cccnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
MAP2K1 Q02750 1/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
NR4A2 P43354 2/20 0.40
GAA P10253 1/20 0.40
ELANE P08246 2/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
PDE4A P27815 1/20 0.38
KCNH2 Q12809 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGER4 P35408 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL12166069 0.89 MYC (0.45) HSD17B10MAP2K1KDM4EMAPTNR4A2
SCHEMBL1896211 0.87 HSD17B10 (0.45) HSD17B10KDM4ENR4A2GAAELANE
SCHEMBL12166078 0.87 MAP2K1 (0.45) HSD17B10MAP2K1KDM4ENR4A2GAA
SCHEMBL12166108 0.79 HSD17B10 (0.45) HSD17B10KDM4ENR4A2GAAELANE
SCHEMBL12166061 0.79 MYC (0.46) HSD17B10KDM4ENR4A2GAAELANE
SCHEMBL12166128 0.78 MAPT (0.32) KDM4EMAPTGAAPDE4AKCNH2
SCHEMBL12166067 0.78 MYC (0.45) HSD17B10KDM4ENR4A2ELANETSHR
SCHEMBL1893720 0.76 NR4A2 (0.48) MAP2K1KDM4ENR4A2GAATSHR
SCHEMBL12166117 0.75 GAA (0.49) HSD17B10MAP2K1KDM4EMAPTNR4A2
SCHEMBL31179907 0.74 MYC (0.56) KDM4EMAPTNR4A2GAAELANE

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-9012599-B2 Nitrogen-containing condensed heterocyclic compounds for OLEDs MERCK PATENT GMBH (DE) 2015-04-21 US disclosed
US-9012599-B2 Nitrogen-containing condensed heterocyclic compounds for OLEDs MERCK PATENT GMBH (DE) 2015-04-21 US disclosed
US-20120232241-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUNDS FOR OLEDS MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2012-09-13 US disclosed
US-20120232241-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUNDS FOR OLEDS MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2012-09-13 US disclosed
WO-2011060867-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUNDS FOR OLEDS MERCK PATENT GMBH (DE) 2011-05-26 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 (1 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-20120232241-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUNDS FOR OLEDS OCIAD2, OCIAD1, ODC1 HSD17B10 1075/4885MAP2K1 4407/4885KDM4E 3664/4885

“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.