SCHEMBL20006919

SCHEMBL20006919

CC1(C)c2cc3ncn(-c4ccc(-c5ccccc5-c5cc(-c6ccccc6-c6ccc(-n7cnc8cc9c(cc87)C(C)(C)C(C)(C)C9(C)C)cc6)cc(-c6cccc(-c7cc(-c8ccccc8-c8ccc(-n9cnc%10cc%11c(cc%109)C(C)(C)C(C)(C)C%11(C)C)cc8)cc(-c8ccccc8-c8ccc(-n9cnc%10cc%11c(cc%109)C(C)(C)C(C)(C)C%11(C)C)cc8)c7)c6-c6ccc(-c7ncccn7)cc6)c5)cc4)c3cc2C(C)(C)C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
PTK2B Q14289 1/20 0.38
HTT P42858 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
THRB P10828 1/20 0.36
PPP1CA P62136 1/20 0.36
FGFR1 P11362 9/20 0.34
SRC P12931 5/20 0.34
KDR P35968 1/20 0.34
NR1H4 Q96RI1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL20006920 0.82 MAPT (0.55) MAPTKMT2ANPSR1PTK2BHTT
SCHEMBL21398049 0.79 CHRNB2 (0.45) MAPTKMT2ANPSR1PTK2BHTT
SCHEMBL19794365 0.78 HTT (0.38) MAPTKMT2ANPSR1PTK2BHTT
SCHEMBL21397871 0.76 CYP1A2 (0.39) MAPTKMT2ANPSR1PTK2BHTT
SCHEMBL15564431 0.76 FGFR1 (0.56) HTTFGFR1SRCALDH1A1HPGD
SCHEMBL21398050 0.72 CHRNB2 (0.38) MAPTKMT2ANPSR1PTK2BHTT
SCHEMBL16812219 0.71 FGFR1 (0.39) MAPTHTTFGFR1SRCALDH1A1
SCHEMBL22563419 0.69 CHRNB2 (0.38) MAPTKMT2ANPSR1PTK2BHTT
SCHEMBL21398047 0.67 TOP1 (0.40) MAPTKMT2ATHRB
SCHEMBL19561556 0.66 FGFR1 (0.48) HTTFGFR1SRCALDH1A1HPGD

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 4 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-3515925-B1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-21 EP disclosed
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-26 US disclosed
WO-2018054798-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-03-29 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-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 MAPT 1256/4885KMT2A 4280/4885NPSR1 2996/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 MAPT 1256/4885KMT2A 4280/4885NPSR1 2996/4885

“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.