SCHEMBL17154875

SCHEMBL17154875

c1ccc(Nc2nccnc2Nc2ccccc2-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
DHODH Q02127 1/20 0.42
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.42
ALOX15 P16050 2/20 0.42
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ABCG2 Q9UNQ0 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39

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
SCHEMBL17154885 0.87 DHODH (0.47) AURKAKDM4EATMFABP3FABP4
SCHEMBL15401372 0.82 FABP3 (0.46) AURKAKDM4EATMFABP3FABP4
Benzene SCHEMBL28417037 0.81 FABP4 (0.55) AURKAKDM4EATMFABP3FABP4
SCHEMBL29372518 0.81 FABP4 (0.55) AURKAKDM4EATMFABP3FABP4
SCHEMBL17699104 0.81 FABP4 (0.55) AURKAKDM4EATMFABP3FABP4
SCHEMBL588648 0.81 FABP4 (0.55) AURKAKDM4EATMFABP3FABP4
SCHEMBL2037022 0.81 DHODH (0.57) AURKAKDM4EATMDHODHALDH1A1
SCHEMBL17154876 0.77 FABP4 (0.56) AURKAKDM4EATMFABP3FABP4
SCHEMBL17503363 0.77 EPHX2 (0.51) KDM4EDHODHALDH1A1TSHRALOX15
SCHEMBL17733477 0.77 FABP4 (0.52) AURKAKDM4EATMFABP3FABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3126371-B1 METAL COMPLEXES, COMPRISING CARBENE LIGANDS HAVING AN O-SUBSTITUTED NON-CYCLOMETALATED ARYL GROUP AND THEIR USE IN ORGANIC LIGHT EMITTING DIODES UDC IRELAND LTD (IE) 2021-11-10 EP disclosed
US-10370396-B2 Metal complexes, comprising carbene ligands having an O-substituted non-cyclometallated aryl group and their use in organic light emitting diodes UDC IRELAND LIMITED (IE) 2019-08-06 US disclosed
US-20190016740-A1 Metal Complexes, Comprising Carbene Ligands Having an O-Substituted Non-Cyclometalated Aryl Group and Their Use in Organic Light Emitting Diodes UDC IRELAND LTD (IE) 2019-01-17 US disclosed
US-20180127448-A1 Metal Complexes, Comprising Carbene Ligands Having an O-Substituted Non-Cyclometalated Aryl Group and Their Use in Organic Light Emitting Diodes UDC IRELAND LTD (IE) 2018-05-10 US disclosed
US-20180127448-A1 Metal Complexes, Comprising Carbene Ligands Having an O-Substituted Non-Cyclometalated Aryl Group and Their Use in Organic Light Emitting Diodes UDC IRELAND LTD (IE) 2018-05-10 US disclosed
US-9862739-B2 Metal complexes, comprising carbene ligands having an O-substituted non-cyclometalated aryl group and their use in organic light emitting diodes UDC IRELAND LIMITED (IE) 2018-01-09 US disclosed
US-20170183367-A1 Metal Complexes, Comprising Carbene Ligands Having an O-Substituted Non-Cyclometalated Aryl Group and Their Use in Organic Light Emitting Diodes UDC IRELAND LIMITED (IE) 2017-06-29 US disclosed
US-20170183367-A1 Metal Complexes, Comprising Carbene Ligands Having an O-Substituted Non-Cyclometalated Aryl Group and Their Use in Organic Light Emitting Diodes UDC IRELAND LIMITED (IE) 2017-06-29 US disclosed
WO-2015150203-A1 METAL COMPLEXES, COMPRISING CARBENE LIGANDS HAVING AN O-SUBSTITUTED NON-CYCLOMETALATED ARYL GROUP AND THEIR USE IN ORGANIC LIGHT EMITTING DIODES BASF SE (DE) 2015-10-08 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 (4 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-20170183367-A1 Metal Complexes, Comprising Carbene Ligands Having an O-Substituted Non-Cyclometalated Aryl Group and Their Use in Organic Light Emitting Diodes ICOSLG, CD40LG, OCIAD1 AURKA 2664/4885KDM4E 3918/4885ATM 3309/4885
US-20190016740-A1 Metal Complexes, Comprising Carbene Ligands Having an O-Substituted Non-Cyclometalated Aryl Group and Their Use in Organic Light Emitting Diodes ICOSLG, CD40LG, OCIAD1 AURKA 2664/4885KDM4E 3918/4885ATM 3309/4885
US-10370396-B2 Metal complexes, comprising carbene ligands having an O-substituted non-cyclometallated aryl group and their use in organic light emitting diodes ICOSLG, CD40LG, OCIAD1 AURKA 2785/4885KDM4E 3913/4885ATM 3363/4885
US-20180127448-A1 Metal Complexes, Comprising Carbene Ligands Having an O-Substituted Non-Cyclometalated Aryl Group and Their Use in Organic Light Emitting Diodes ICOSLG, CD40LG, OCIAD1 AURKA 2664/4885KDM4E 3918/4885ATM 3309/4885

“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.