SCHEMBL17837335

SCHEMBL17837335

CC(=O)c1ccc(-c2cncc3ccccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.59
CYP11B2 P19099 6/20 0.55
CYP11B1 P15538 5/20 0.55
CCNC P24863 7/20 0.51
CDK8 P49336 7/20 0.51
ROCK2 O75116 1/20 0.51
NAMPT P43490 1/20 0.51
PIK3CG P48736 1/20 0.51
FLT3 P36888 1/20 0.51
MYLK Q15746 1/20 0.51
AURKB Q96GD4 1/20 0.51
CILK1 Q9UPZ9 1/20 0.51
CDK11A Q9UQ88 1/20 0.51
MMP9 P14780 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2B6 P20813 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL8108129 0.86 PRKCZ (0.61) PRKCZCYP11B2CYP11B1CCNCCDK8
SCHEMBL10138248 0.82 SLC22A12 (0.56) CYP11B2CYP11B1CCNCCDK8FLT3
SCHEMBL10295994 0.80 HDAC8 (0.66) CYP1A2CYP2C9CYP2C19MAPTSMN1; SMN2
SCHEMBL10138336 0.80 SLC22A12 (0.54) CCNCCDK8SLC22A12
SCHEMBL12386960 0.78 PRKCZ (0.69) PRKCZCYP11B2CYP11B1CCNCCDK8
SCHEMBL12074301 0.78 PRKCZ (0.73) PRKCZCYP11B2CYP11B1CCNCCDK8
SCHEMBL10138245 0.78 SLC22A12 (0.55) CYP11B2CYP11B1CCNCCDK8MMP9
SCHEMBL6243938 0.77 PRKCZ (0.72) PRKCZCYP11B2CYP11B1CCNCCDK8
SCHEMBL29501875 0.77 PRKCZ (0.72) PRKCZCYP11B2CYP11B1CCNCCDK8
SCHEMBL23555363 0.77 PRKCZ (0.67) PRKCZCYP11B2CYP11B1CCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105473569-B Compound, material for organic electroluminescent element, and electronic device 出光兴产株式会社 2021-01-01 CN disclosed
US-10797244-B2 Compound, material for organic electroluminescent element, organic electroluminescent element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2020-10-06 US disclosed
US-10784446-B2 Compound, organic electroluminescence element material, organic electroluminescence element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2020-09-22 US disclosed
EP-3040335-B1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO (JP) 2019-04-03 EP disclosed
US-20170213983-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-07-27 US disclosed
US-20170213982-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-07-27 US disclosed
US-20170213982-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-07-27 US disclosed
US-20170213983-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-07-27 US disclosed
EP-3040335-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE Idemitsu Kosan Co., Ltd (JP) 2016-07-06 EP disclosed
US-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 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 (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-10797244-B2 Compound, material for organic electroluminescent element, organic electroluminescent element, and electronic device RER1, RBM12, H1-2 PRKCZ 4856/4885CYP11B2 1731/4885CYP11B1 2171/4885
US-10784446-B2 Compound, organic electroluminescence element material, organic electroluminescence element and electronic device L1CAM, SOD1, OR10J3 PRKCZ 4796/4885CYP11B2 2146/4885CYP11B1 2290/4885
US-20170213982-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE RER1, RBM12, H1-2 PRKCZ 4856/4885CYP11B2 1731/4885CYP11B1 2171/4885
US-20170213983-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE L1CAM, SOD1, OR10J3 PRKCZ 4796/4885CYP11B2 2146/4885CYP11B1 2290/4885
US-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, PIEZO1, SLC39A11 PRKCZ 4753/4885CYP11B2 2873/4885CYP11B1 2679/4885

“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.