SCHEMBL19933604

SCHEMBL19933604

CN(C(=O)c1ccc(-c2ccccc2)nc1)c1cc(B2OC(C)(C)C(C)(C)O2)cc(N(C)C(=O)c2ccc(-c3ccccc3)nc2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.44
DGAT1 O75907 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40
OXTR P30559 3/20 0.39
LIPG Q9Y5X9 2/20 0.39
LPL P06858 1/20 0.39
AVPR1A P37288 2/20 0.38
MLNR O43193 3/20 0.38
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.38
HPGDS O60760 1/20 0.37
MCHR1 Q99705 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
P4HB P07237 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
SCHEMBL20007190 0.87 OXTR (0.44) LDHADGAT1BAZ2BPDGFRBKDR
SCHEMBL19933597 0.85 ABL1 (0.43) PDGFRBKDROXTRRAB9AMCHR1
SCHEMBL18573167 0.85 LDHA (0.59) LDHABAZ2BOXTRAVPR1AMLNR
SCHEMBL19933524 0.82 LDHA (0.52) LDHABAZ2BOXTRAVPR1AMLNR
SCHEMBL22059452 0.79 LDHA (0.52) LDHABAZ2BOXTRAVPR1AMLNR
SCHEMBL19933662 0.77 DGAT1 (0.49) LDHADGAT1BAZ2BPDGFRBKDR
SCHEMBL19933614 0.77 ABL1 (0.41) DGAT1PDGFRBKDROXTRLIPG
SCHEMBL22563354 0.75 LDHA (0.45) LDHABAZ2BOXTRAVPR1AMLNR
SCHEMBL22578489 0.75 DGAT1 (0.36) LDHADGAT1PDGFRBKDRALOX15
SCHEMBL18837906 0.74 LIPG (0.51) LIPGLPLNPC1RAB9AP4HB

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
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 US disclosed
EP-3507294-B1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-02-24 EP disclosed
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices MERCK PATENT GMBH 2021-01-12 US disclosed
EP-3526227-B1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-06-03 EP disclosed
US-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-02-13 US disclosed
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-26 US disclosed
US-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-07-04 US disclosed
WO-2018069196-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-04-19 WO disclosed
WO-2018041769-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-03-08 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 (5 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-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES PARN, PUF60, PARG LDHA 2820/4885DGAT1 2586/4885BAZ2B 596/4885
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 LDHA 2122/4885DGAT1 1147/4885BAZ2B 1652/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG LDHA 2820/4885DGAT1 2586/4885BAZ2B 596/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 LDHA 2122/4885DGAT1 1147/4885BAZ2B 1652/4885
US-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES BICRA, NCLN, IMMT LDHA 2458/4885DGAT1 1932/4885BAZ2B 420/4885

“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.