SCHEMBL3499138

SCHEMBL3499138

Clc1cc(Cl)c2cc(-c3ccccc3)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.51
TRIM58 Q8NG06 1/20 0.45
MAP4K4 O95819 1/20 0.45
ESR2 Q92731 2/20 0.44
ESRRB O95718 1/20 0.44
ESR1 P03372 1/20 0.44
ESRRA P11474 1/20 0.44
BACE1 P56817 1/20 0.43
MAPKAPK2 P49137 1/20 0.42
PIK3CA P42336 2/20 0.41
DHFR P00374 1/20 0.41
PI4KA P42356 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
PLAU P00749 1/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CYP1A2 P05177 1/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL19618608 0.88 NT5E (0.44) NT5EESR2ESRRBESR1ESRRA
SCHEMBL17734598 0.86 LMNA (0.54) NT5EESR2ESRRBESR1ESRRA
SCHEMBL28181895 0.84 PIK3CA (0.51) NT5ETRIM58MAP4K4ESR2ESR1
SCHEMBL7059007 0.82 KDM4E (0.58) TRIM58MAP4K4BACE1PIK3CALMNA
SCHEMBL397020 0.78 MAOA (0.54) KDM4ECYP1A2MAPTALDH1A1
SCHEMBL29420516 0.78 MAOA (0.54) KDM4ECYP1A2MAPTALDH1A1
SCHEMBL31121065 0.76 PIK3CA (0.59) NT5EMAP4K4ESR2MAPKAPK2PIK3CA
SCHEMBL29799170 0.76 LMNA (0.46) NT5EESR2ESRRBESR1ESRRA
SCHEMBL2535170 0.76 LMNA (0.46) NT5EESR2ESRRBESR1ESRRA
SCHEMBL23202873 0.76 AHR (0.44) NT5EESR2ESRRBESR1ESRRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10033001-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2018-07-24 US disclosed
US-10033001-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2018-07-24 US disclosed
US-20170317297-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2017-11-02 US disclosed
US-20170317297-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2017-11-02 US disclosed
WO-2016072780-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-05-12 WO disclosed
US-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 LIPFORD GRAYSON B 2010-06-24 US disclosed
US-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 LIPFORD GRAYSON B 2010-06-24 US disclosed
US-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 LIPFORD GRAYSON B 2010-06-24 US disclosed
EP-2081924-A2 SMALL MOLECULE INHIBITORS OF TOLL-LIKE RECEPTOR 9 Coley Pharmaceutical Group, Inc. (US) 2009-07-29 EP disclosed
WO-2008030455-A2 SMALL MOLECULE INHIBITORS OF TOLL-LIKE RECEPTOR 9 COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-03-13 WO disclosed
WO-2008030455-A2 SMALL MOLECULE INHIBITORS OF TOLL-LIKE RECEPTOR 9 COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-03-13 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 (3 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-10033001-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same EPCAM, SOD1, ICOSLG NT5E 2267/4885TRIM58 4146/4885MAP4K4 2338/4885
US-20170317297-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME EPCAM, SOD1, ICOSLG NT5E 2267/4885TRIM58 4146/4885MAP4K4 2338/4885
US-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 TLR9, TLR3, TLR1 NT5E 1877/4885TRIM58 3262/4885MAP4K4 1164/4885

“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.