SCHEMBL17879136

SCHEMBL17879136

c1ccc(N(c2ccccc2)c2ccc(-c3cnc4c(n3)c3nc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)nc3c3nc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)nc43)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 2/20 0.38
CYP11B1 P15538 1/20 0.38
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
BCHE P06276 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
NOS1 P29475 2/20 0.35

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
SCHEMBL17879133 0.85 TDP1 (0.46) ADKKDM4EMAPTALDH1A1CYP1A2
SCHEMBL17879134 0.83 ADK (0.41) ADKCYP11B1KDM4EMAPTALDH1A1
SCHEMBL17879132 0.83 ADK (0.41) ADKCYP11B1KDM4EMAPTALDH1A1
SCHEMBL12722971 0.81 CYP11B1 (0.38) ADKCYP11B1KDM4EMAPTALDH1A1
SCHEMBL18253255 0.80 CYP11B1 (0.37) ADKCYP11B1KDM4EMAPTALDH1A1
SCHEMBL17879137 0.78 ADK (0.43) ADKCYP11B1KDM4EMAPTALDH1A1
SCHEMBL14018358 0.77 CYP11B1 (0.49) CYP11B1KDM4EMAPTALDH1A1CYP1A2
SCHEMBL17879127 0.77 TDP1 (0.50) ADKKDM4EMAPTALDH1A1CYP1A2
SCHEMBL17879138 0.76 ADK (0.43) ADKKDM4EMAPTALDH1A1CYP1A2
SCHEMBL2481674 0.76 NPC1 (0.62) KDM4EMAPTALDH1A1CYP1A2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210074927-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYULUX, INC. (JP) 2021-03-11 US disclosed
US-10862047-B2 Organic electroluminescent device KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2020-12-08 US disclosed
US-10658596-B2 2020-05-19 US disclosed
US-10600983-B2 Organic electroluminescent device comprising delayed fluorescent materials KYULUX, INC. (JP) 2020-03-24 US disclosed
US-10559757-B2 Host material for delayed fluorescent materials, organic light-emitting device and compound KYULUX, INC. (JP) 2020-02-11 US disclosed
US-20170288146-A1 HOST MATERIAL FOR DELAYED FLUORESCENT MATERIALS, ORGANIC LIGHT-EMITTING DEVICE AND COMPOUND KYULUX, INC. (JP) 2017-10-05 US disclosed
US-20170288146-A1 HOST MATERIAL FOR DELAYED FLUORESCENT MATERIALS, ORGANIC LIGHT-EMITTING DEVICE AND COMPOUND KYULUX, INC. (JP) 2017-10-05 US disclosed
US-20170213974-A1 ORGANIC LIGHT-EMITTING DEVICE, HOST MATERIAL, LIGHT-EMITTING MATERIAL, AND COMPOUND KYULUX, INC. (JP) 2017-07-27 US disclosed
US-20170213974-A1 ORGANIC LIGHT-EMITTING DEVICE, HOST MATERIAL, LIGHT-EMITTING MATERIAL, AND COMPOUND KYULUX, INC. (JP) 2017-07-27 US disclosed
US-20170163010-A1 ORGANIC LIGHT-EMITTING ELEMENT KYUSHU UNIVERSITY NATIONAL UNIVERSITY CORPORATION (JP) 2017-06-08 US disclosed
US-20170163010-A1 ORGANIC LIGHT-EMITTING ELEMENT KYUSHU UNIVERSITY NATIONAL UNIVERSITY CORPORATION (JP) 2017-06-08 US disclosed
US-20160329512-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYULUX, INC. (JP) 2016-11-10 US disclosed
US-20160329512-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYULUX, INC. (JP) 2016-11-10 US disclosed
US-20160190478-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-30 US disclosed
US-20160190478-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-30 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-20170288146-A1 HOST MATERIAL FOR DELAYED FLUORESCENT MATERIALS, ORGANIC LIGHT-EMITTING DEVICE AND COMPOUND TERB1, TERT, TCOF1 ADK 4694/4885CYP11B1 3540/4885KDM4E 3804/4885
US-10559757-B2 Host material for delayed fluorescent materials, organic light-emitting device and compound TERB1, TERT, TCOF1 ADK 4694/4885CYP11B1 3540/4885KDM4E 3804/4885
US-20170213974-A1 ORGANIC LIGHT-EMITTING DEVICE, HOST MATERIAL, LIGHT-EMITTING MATERIAL, AND COMPOUND CRY1, CRY2, CYBA ADK 4472/4885CYP11B1 579/4885KDM4E 2784/4885

“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.