SCHEMBL21579481

SCHEMBL21579481

Nn1c2ccccc2c2cncnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
ACHE P22303 1/20 0.36
CYP1A2 P05177 4/20 0.35
USP2 O75604 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 3/20 0.35
CLK4 Q9HAZ1 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HBB P68871 1/20 0.34
PTGER4 P35408 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL9211857 0.79 DDB1 (0.45) DDB1CRBNMAOAMAOBACHE
SCHEMBL1609982 0.79 GPR3 (0.52) DDB1CRBNMAOAMAOBCYP1A2
SCHEMBL12396569 0.76 KDM4E (0.55) DDB1CRBNCYP1A2USP2CYP3A4
SCHEMBL257570 0.76 ACHE (0.39) ACHECYP1A2CYP3A4CYP2C19TSHR
SCHEMBL21579449 0.75 LIMK1 (0.41) DDB1CRBNUSP2ALDH1A1TSHR
SCHEMBL19009221 0.75 PTGER4 (0.59) DDB1CRBNMAOAMAOBACHE
SCHEMBL18237473 0.75 TSHR (0.50) DDB1CRBNACHECYP1A2USP2
SCHEMBL11910133 0.73 KDM4E (0.43) DDB1CRBNCYP1A2USP2CYP3A4
SCHEMBL8809527 0.72 DDB1 (0.43) DDB1CRBNMAOAMAOBACHE
SCHEMBL12175882 0.72 MAOA (0.59) DDB1CRBNMAOAMAOBACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11056656-B2 Organoboron complexes and their use in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-07-06 US disclosed
US-20200388761-A1 ORGANOBORON COMPLEXES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-12-10 US disclosed
US-20190352318-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-11-21 US 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-11056656-B2 Organoboron complexes and their use in organic electroluminescent devices NDUFC1, MT-ND6, NDUFC2 DDB1 1143/4885CRBN 4278/4885MAOA 1480/4885
US-20200388761-A1 ORGANOBORON COMPLEXES FOR ORGANIC ELECTROLUMINESCENT DEVICES NDUFC1, KCNC1, MT-ND6 DDB1 1200/4885CRBN 4300/4885MAOA 1711/4885
US-20190352318-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM DDB1 2177/4885CRBN 4072/4885MAOA 669/4885

“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.