SCHEMBL16625770

SCHEMBL16625770

c1cnc(-c2cc(-c3cc(-c4ncccn4)c(-c4ncccn4)c(-c4ncccn4)c3)cc(-c3ncccn3)c2-c2ncccn2)nc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.34
KDM1A O60341 2/20 0.34
CLK4 Q9HAZ1 3/20 0.33
GALR2 O43603 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MPI P34949 1/20 0.33
HTT P42858 1/20 0.33
CCR6 P51684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DYRK1A Q13627 1/20 0.33
MAP4K4 O95819 1/20 0.32
ADRB2 P07550 1/20 0.32
BRD4 O60885 1/20 0.31

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
SCHEMBL16625777 0.84 CYP2A6 (0.38) CYP2A6
SCHEMBL22874249 0.78 KDM4E (0.50) CYP2A6KDM1AALDH1A1MAPTHPGD
SCHEMBL13910997 0.73 CLK4 (0.42) CYP2A6CLK4ALDH1A1MAPTHTT
SCHEMBL13781523 0.70 BRD4 (0.37) CYP2A6CLK4ALDH1A1MAPTHPGD
SCHEMBL13539329 0.67 CYP2A6 (0.48) CYP2A6CLK4SMN1; SMN2DYRK1AADRB2
SCHEMBL29637611 0.67 CYP2A6 (0.38) CYP2A6CLK4DYRK1AMAP4K4ADRB2
SCHEMBL29637610 0.67 CYP2A6 (0.38) CYP2A6CLK4DYRK1AMAP4K4ADRB2
SCHEMBL171853 0.65 HDAC8 (0.47) CYP2A6CLK4ALDH1A1MAPTHTT
SCHEMBL10599951 0.65 KDM4E (0.45) ALDH1A1MAPTHTTSMN1; SMN2BRD4
SCHEMBL12721321 0.65 CLK4 (0.35) CYP2A6CLK4GALR2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9941422-B2 Organic photoelectric conversion element and solar cell using the same Konica Minolta, Inc. (JP) 2018-04-10 US disclosed
US-9941422-B2 Organic photoelectric conversion element and solar cell using the same Konica Minolta, Inc. (JP) 2018-04-10 US disclosed
US-9882072-B2 Solar cell and transparent electrode Konica Minolta, Inc. (JP) 2018-01-30 US disclosed
US-9882072-B2 Solar cell and transparent electrode Konica Minolta, Inc. (JP) 2018-01-30 US disclosed
US-20160285008-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE Konica Minolta, Inc. (JP) 2016-09-29 US disclosed
US-20160285008-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE Konica Minolta, Inc. (JP) 2016-09-29 US disclosed
US-20150096610-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR CELL USING THE SAME SONY SEMICONDUCTOR SOLUTIONS CORPORATION (JP) 2015-04-09 US disclosed
US-20150096610-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR CELL USING THE SAME SONY SEMICONDUCTOR SOLUTIONS CORPORATION (JP) 2015-04-09 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 (1 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-20160285008-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE EML4, L1CAM, OCIAD2 CYP2A6 3558/4885KDM1A 3126/4885CLK4 828/4885

“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.