SCHEMBL577401

SCHEMBL577401

Brc1ccc2c(c1)C1(c3cc(Br)ccc3-2)c2cccnc2-c2ncccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
HTT P42858 1/20 0.41
CDC25B P30305 1/20 0.36
KMT2A Q03164 2/20 0.34
PTAFR P25105 1/20 0.34
ABL1 P00519 2/20 0.33
TDP2 O95551 2/20 0.33
NSD2 O96028 2/20 0.33
PAX8 Q06710 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PLCG1 P19174 1/20 0.33
CES1 P23141 1/20 0.33
RIN1 Q13671 1/20 0.33
CCNB2 O95067 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
CDK1 P06493 1/20 0.33
PIM1 P11309 1/20 0.33

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
SCHEMBL31292879 0.95 PDK2 (0.45) PDK2CYP1A2CYP2C19HTTCDC25B
SCHEMBL14681775 0.95 PDK2 (0.45) PDK2CYP1A2CYP2C19HTTCDC25B
SCHEMBL16547417 0.91 PDK2 (0.44) PDK2CYP1A2CYP2C19HTTCDC25B
SCHEMBL14099222 0.91 PDK2 (0.44) PDK2CYP1A2CYP2C19HTTCDC25B
SCHEMBL31292796 0.85 PDK2 (0.39) PDK2CYP1A2CYP2C19HTTCDC25B
SCHEMBL19688104 0.82 AHR (0.39) PDK2CYP1A2CYP2C19HTTKMT2A
SCHEMBL22065877 0.82 AHR (0.41) CYP1A2CYP2C19HTTCDC25BABL1
SCHEMBL19567070 0.81 PDK2 (0.37) PDK2CYP1A2CYP2C19HTTCDC25B
SCHEMBL5763711 0.81 PDK2 (0.38) PDK2CYP1A2CYP2C19CDC25BKMT2A
SCHEMBL31342839 0.81 PDK2 (0.38) PDK2CYP1A2CYP2C19CDC25BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418033-B1 METAL COMPLEX AND COMPOSITION CONTAINING SAME SUMITOMO CHEMICAL CO (JP) 2020-05-06 EP disclosed
EP-2418033-B1 METAL COMPLEX AND COMPOSITION CONTAINING SAME SUMITOMO CHEMICAL CO (JP) 2020-05-06 EP disclosed
US-9536633-B2 Metallic composite and composition thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-01-03 US disclosed
US-8866134-B2 Light-emitting device and photovoltaic cell, and method for manufacturing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-10-21 US disclosed
US-8866134-B2 Light-emitting device and photovoltaic cell, and method for manufacturing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-10-21 US disclosed
US-20130099224-A1 LIGHT-EMITTING DEVICE AND PHOTOVOLTAIC CELL, AND METHOD FOR MANUFACTURING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-04-25 US disclosed
US-20130099224-A1 LIGHT-EMITTING DEVICE AND PHOTOVOLTAIC CELL, AND METHOD FOR MANUFACTURING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-04-25 US disclosed
US-8354533-B2 Nitrogen-containing heteroaromatic ligand-transition metal complexes, buffer layer comprising the complexes and organic thin film transistor comprising the buffer layer SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-01-15 US disclosed
US-8354533-B2 Nitrogen-containing heteroaromatic ligand-transition metal complexes, buffer layer comprising the complexes and organic thin film transistor comprising the buffer layer SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-01-15 US disclosed
EP-2423192-A1 METAL COMPLEX HAVING AROMATIC LIGAND THAT CONTAINS NITROGEN ATOM Sumitomo Chemical Company, Limited (JP) 2012-02-29 EP disclosed
WO-2011152358-A1 MEMBRANE CONTAINING SILVER COMPLEX 住友化学株式会社 (JP) 2011-12-08 WO disclosed
US-8053575-B2 Improved injection and transport of electrical charges; organic light emitting diodes, solar cells, organic photovoltaic devices SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-11-08 US disclosed
US-8053575-B2 Improved injection and transport of electrical charges; organic light emitting diodes, solar cells, organic photovoltaic devices SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-11-08 US disclosed
EP-2360162-A1 LUMINESCENT SILVER COMPLEXES Sumitomo Chemical Company, Limited (JP) 2011-08-24 EP disclosed
US-20080197346-A1 Nitrogen-containing heteroaromatic ligand-transition metal complexes, buffer layer comprising the complexes and organic thin film transistor comprising the buffer layer SAMSUNG ELECTRONICS CO., LTD. 2008-08-21 US disclosed
US-20080197346-A1 Nitrogen-containing heteroaromatic ligand-transition metal complexes, buffer layer comprising the complexes and organic thin film transistor comprising the buffer layer SAMSUNG ELECTRONICS CO., LTD. 2008-08-21 US disclosed
EP-0894107-B1 COMPOUNDS WITH SPIRO ATOMS AND THEIR USE AS ELECTROLUMINESCENT MATERIALS AVENTIS RES & TECH GMBH & CO (DE) 1999-12-22 EP disclosed
EP-0894107-A1 POLYMERS WITH SPIRO ATOMS AND THEIR USE AS ELECTROLUMINESCENT MATERIALS Hoechst Research & Technology Deutschland GmbH & Co. KG (DE) 1999-02-03 EP disclosed
US-5763636-A CONJUGATED POLYCYCLIC POLYMERS HOECHST AKTIENGESELLSCHAFT (DE) 1998-06-09 US disclosed
WO-1997039045-A1 POLYMERS WITH SPIRO ATOMS AND THEIR USE AS ELECTROLUMINESCENT MATERIALS HOECHST RESEARCH & TECHNOLOGY DEUTSCHLAND GMBH & CO. KG (DE) 1997-10-23 WO 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-20080197346-A1 Nitrogen-containing heteroaromatic ligand-transition metal complexes, buffer layer comprising the complexes and organic thin film transistor comprising the buffer layer TTN, SLCO4C1, SLC6A19 PDK2 4486/4885CYP1A2 2866/4885CYP2C19 1210/4885

“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.