SCHEMBL20277019

SCHEMBL20277019

N#Cc1ccc(-c2cc(N3c4ccccc4Oc4ccccc43)c(N3c4ccccc4Oc4ccccc43)cc2-c2ccc(C#N)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.39
P2RX4 Q99571 1/20 0.36
PDK2 Q15119 1/20 0.35
NR1H3 Q13133 1/20 0.35
CYP11B2 P19099 1/20 0.35
TNKS O95271 1/20 0.35
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
MAOB P27338 1/20 0.34
AR P10275 1/20 0.34

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
SCHEMBL28367324 0.89 OPRD1 (0.42) OPRD1PDK2NR1H3CYP11B2TSHR
SCHEMBL17952594 0.85 OPRD1 (0.32) OPRD1CYP11B2USP2
SCHEMBL20282531 0.85 OPRD1 (0.39) OPRD1PDK2NR1H3CYP11B2TNKS
SCHEMBL21429062 0.85 ATM (0.37) OPRD1PDK2CYP11B2USP2AR
SCHEMBL20282604 0.84 OPRD1 (0.40) OPRD1PDK2NR1H3CYP11B2USP2
SCHEMBL20282443 0.83 AR (0.37) OPRD1P2RX4NR1H3USP2TSHR
SCHEMBL20061233 0.83 P2RX4 (0.35) P2RX4TSHR
SCHEMBL28367326 0.82 PTGDR2 (0.37) PDK2
SCHEMBL18360980 0.82 GABRA1 (0.41) CYP11B2
SCHEMBL18361011 0.81 CASP3 (0.40) P2RX4PDK2NR1H3

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-11358951-B2 Π(PI)-conjugated compound, organic electroluminescence element material, light-emitting material, light-emitting thin film, organic electroluminescence element, display device, and illumination device MERCK PATENT GMBH (DE) 2022-06-14 US disclosed
US-20180170914-A1 II(PI)-CONJUGATED COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, LIGHT-EMITTING MATERIAL, LIGHT-EMITTING THIN FILM, ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE Konica Minolta, Inc. (JP) 2018-06-21 US disclosed
US-20180170914-A1 II(PI)-CONJUGATED COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, LIGHT-EMITTING MATERIAL, LIGHT-EMITTING THIN FILM, ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE Konica Minolta, Inc. (JP) 2018-06-21 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 (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-20180170914-A1 II(PI)-CONJUGATED COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, LIGHT-EMITTING MATERIAL, LIGHT-EMITTING THIN FILM, ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE OCIAD2, ZYX, OCIAD1 OPRD1 65/4885P2RX4 4477/4885PDK2 755/4885
US-11358951-B2 Π(PI)-conjugated compound, organic electroluminescence element material, light-emitting material, light-emitting thin film, organic electroluminescence element, display device, and illumination device ZYX, OCIAD2, DRD1 OPRD1 29/4885P2RX4 4048/4885PDK2 815/4885

“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.