SCHEMBL12207337

SCHEMBL12207337

CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4nc(-c5ccc(N(c6ccccc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)c(-c5ccccc5)nc34)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.34
PDK2 Q15119 8/20 0.34
ALDH1A1 P00352 5/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 4/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PSMB5 P28074 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.30
MCOLN3 Q8TDD5 1/20 0.30
NOX1 Q9Y5S8 1/20 0.30

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
SCHEMBL6725085 1.00 ADK (0.34) ADKPDK2ALDH1A1HPGDKDM4E
SCHEMBL12564882 0.99 PDK2 (0.34) ADKPDK2ALDH1A1HPGDKDM4E
SCHEMBL12207676 0.99 PDK2 (0.34) ADKPDK2ALDH1A1HPGDKDM4E
SCHEMBL12690696 0.98 PDK2 (0.34) ADKPDK2ALDH1A1HPGDKDM4E
SCHEMBL12207288 0.92 TDP1 (0.35) ALDH1A1HPGDKDM4ELMNASMN1; SMN2
SCHEMBL10315107 0.92 RAB9A (0.38) ALDH1A1HPGDKDM4ELMNASMN1; SMN2
SCHEMBL10315344 0.92 RAB9A (0.38) ALDH1A1HPGDKDM4ELMNASMN1; SMN2
SCHEMBL12564874 0.91 PDK2 (0.39) PDK2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL12207668 0.91 ALDH1A1 (0.33) PDK2ALDH1A1HPGDKDM4ELMNA
SCHEMBL6725046 0.90 ADK (0.33) ADKPDK2ALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004616-B1 QUINOXALINE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE USING THE QUINOXALINE DERIVATIVE SEMICONDUCTOR ENERGY LAB (JP) 2014-05-21 EP disclosed
US-8471017-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, electronic device using the quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO. LTD. (JP) 2013-06-25 US disclosed
US-8471017-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, electronic device using the quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO. LTD. (JP) 2013-06-25 US disclosed
US-20110248254-A1 QUINOXALINE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE USING THE QUINOXALINE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-10-13 US disclosed
US-20110248254-A1 QUINOXALINE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE USING THE QUINOXALINE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-10-13 US disclosed
US-8008489-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, electronic device using the quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-08-30 US disclosed
US-8008489-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, electronic device using the quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-08-30 US disclosed
US-20100141130-A1 QUINOXALINE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE USING THE QUINOXALINE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-06-10 US disclosed
US-20100141130-A1 QUINOXALINE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE USING THE QUINOXALINE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-06-10 US disclosed
US-7696348-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, electronic device using the quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORIES CO., LTD. (JP) 2010-04-13 US disclosed
US-7696348-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, electronic device using the quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORIES CO., LTD. (JP) 2010-04-13 US disclosed
WO-2007108403-A1 QUINOXALINE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE USING THE QUINOXALINE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-09-27 WO disclosed
US-20070222374-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, electronic device using the quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-09-27 US disclosed
US-20070222374-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, electronic device using the quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-09-27 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-20100141130-A1 QUINOXALINE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE USING THE QUINOXALINE DERIVATIVE NDUFA9, MT-ND1, NQO2 ADK 2682/4885PDK2 117/4885ALDH1A1 322/4885
US-20070222374-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, electronic device using the quinoxaline derivative NDUFA9, MT-ND1, NQO2 ADK 2682/4885PDK2 117/4885ALDH1A1 322/4885

“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.