Sugi Predict

Sugi Predict / Compounds / SCHEMBL842039

SCHEMBL842039

SCHEMBL842039

[Ir].c1ccc(-n2cccn2)cc1.c1ccc(-n2cccn2)cc1.c1ccc(-n2cccn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.63
▸ ALDH1A1 P00352 4/20 0.57
▸ MAPK1 P28482 3/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ DRD2 P14416 1/20 0.54
▸ DRD4 P21917 1/20 0.54
▸ DRD3 P35462 1/20 0.54
▸ HDAC4 P56524 1/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ LMNA P02545 3/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CHRNA7 P36544 1/20 0.44
▸ CHRNA10 Q9GZZ6 1/20 0.44
▸ CHRNA9 Q9UGM1 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ G6PD P11413 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ KAT6A Q92794 1/20 0.42

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
SCHEMBL514704 1.00 NOTUM (0.63) NOTUMALDH1A1MAPK1KDM4EDRD2
SCHEMBL27250 0.98 NOTUM (0.65) NOTUMALDH1A1MAPK1KDM4EDRD2
SCHEMBL28493417 0.95 NOTUM (0.63) NOTUMALDH1A1MAPK1KDM4EDRD2
Iodide SCHEMBL336356 0.95 NOTUM (0.63) NOTUMALDH1A1MAPK1KDM4EDRD2
SCHEMBL6428811 0.95 NOTUM (0.63) NOTUMALDH1A1MAPK1KDM4EDRD2
Hydrochloric Acid SCHEMBL15510676 0.95 NOTUM (0.63) NOTUMALDH1A1MAPK1KDM4EDRD2
Methylamine SCHEMBL27947262 0.91 NOTUM (0.59) NOTUMALDH1A1MAPK1KDM4EDRD2
Formaldehyde SCHEMBL27652263 0.91 NOTUM (0.59) NOTUMALDH1A1MAPK1KDM4EDRD2
Bicarbonate SCHEMBL10672835 0.89 NOTUM (0.57) NOTUMALDH1A1MAPK1KDM4EDRD2
Pyridine SCHEMBL28534733 0.89 NOTUM (0.57) NOTUMALDH1A1MAPK1KDM4EDRD2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023008176-A1 FLUORINATED ARYLSULFONATE POLYMER COMPOUND AND USE THEREOF 日産化学株式会社 2023-02-02 — — WO disclosed
WO-2022209892-A1 CHARGE-TRANSPORTING VARNISH 日産化学株式会社 2022-10-06 — — WO disclosed
WO-2022209891-A1 POLYMER AND USE THEREOF 日産化学株式会社 2022-10-06 — — WO disclosed
WO-2022181587-A1 CHARGE TRANSPORT INK COMPOSITION 日産化学株式会社 2022-09-01 — — WO disclosed
EP-3053910-B1 ANILINE DERIVATIVES AND USES THEREOF NISSAN CHEMICAL CORP (JP) 2021-04-28 — — EP disclosed
CN-111106263-A Planar organic electroluminescent device with color regulated by full-period light-emitting alternating current 北京大学深圳研究生院 2020-05-05 — — CN disclosed
US-10164196-B2 Aniline derivative, charge-transporting varnish and organic electroluminescent device NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-12-25 — — US disclosed
EP-3012245-B1 ANILINE DERIVATIVE, CHARGE-TRANSPORTING VARNISH AND ORGANIC ELECTROLUMINESCENT DEVICE NISSAN CHEMICAL IND LTD (JP) 2018-08-08 — — EP disclosed
EP-3000804-B1 TRIPHENYLAMINE DERIVATIVE AND USE THEREFOR NISSAN CHEMICAL IND LTD (JP) 2018-04-25 — — EP disclosed
US-20180030200-A1 FLUORINE ATOM-CONTAINING POLYMER AND USE OF SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-02-01 — — US disclosed
EP-3000804-A1 TRIPHENYLAMINE DERIVATIVE AND USE THEREFOR Nissan Chemical Industries, Ltd. (JP) 2016-03-30 — — EP disclosed
US-20160087220-A1 TRIPHENYLAMINE DERIVATIVE AND USE THEREFOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-03-24 — — US disclosed
US-8143613-B2 Organic light emitting device having multiple separate emissive layers THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-27 — — US disclosed
US-20110215301-A1 Organic Light Emitting Device Having Multiple Separate Emissive Layers ENERGY, UNITED STATES DEPARTMENT OF 2011-09-08 — — US disclosed
EP-2215670-A1 ORGANIC LIGHT EMITTING DEVICE HAVING MULTIPLE SEPARATE EMISSIVE LAYERS The Regents of the University of Michigan (US) 2010-08-11 — — EP disclosed
US-7553557-B2 tris(phenylpyrazole) iridium complex; stability THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-06-30 — — US disclosed
WO-2009070382-A1 ORGANIC LIGHT EMITTING DEVICE HAVING MULTIPLE SEPARATE EMISSIVE LAYERS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-06-04 — — WO disclosed
US-20060024526-A1 tris(phenylpyrazole) iridium complex; stability THOMPSON MARK E 2006-02-02 — — US disclosed
US-6951694-B2 Organic light emitting devices with electron blocking layers THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2005-10-04 — — US disclosed
US-20040048101-A1 Organic light emitting devices with electron blocking layers UNIVERSITY OF SOUTHERN CALIFORNIA, THE 2004-03-11 — — 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-10164196-B2 Aniline derivative, charge-transporting varnish and organic electroluminescent device SLC7A5, SLC43A1, SLC9A5 NOTUM 540/4885ALDH1A1 116/4885MAPK1 3122/4885
US-20180030200-A1 FLUORINE ATOM-CONTAINING POLYMER AND USE OF SAME AFF2, AFF1, AFF4 NOTUM 343/4885ALDH1A1 2629/4885MAPK1 2348/4885
US-20160087220-A1 TRIPHENYLAMINE DERIVATIVE AND USE THEREFOR SLC7A1, SLC7A5, SLC7A11 NOTUM 159/4885ALDH1A1 168/4885MAPK1 1227/4885

“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.