SCHEMBL9948633

SCHEMBL9948633

Cc1ncnc(-c2ncccn2)n1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
CLK4 Q9HAZ1 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL16451682 0.83 HSP90AA1 (0.32) L3MBTL1
SCHEMBL11613627 0.77 KDM4E (0.57) L3MBTL1KDM4ETDP1
SCHEMBL1357812 0.73 L3MBTL1 (0.61) L3MBTL1
SCHEMBL467436 0.73
SCHEMBL11613563 0.71 NPC1 (0.42) L3MBTL1
SCHEMBL17463143 0.70 CYP2A6 (0.55) CLK4KDM4ETDP1
SCHEMBL17343998 0.70 L3MBTL1 (0.57) L3MBTL1
SCHEMBL171853 0.69 HDAC8 (0.47) CLK4KDM4ETDP1
SCHEMBL6682716 0.68 GRM5 (0.39) L3MBTL1CLK4KDM4ETDP1
SCHEMBL586396 0.68 HSP90AA1 (0.40) L3MBTL1CLK4KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9985219-B2 Organic electroluminescent element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2018-05-29 US disclosed
US-9716238-B2 Boron compound for organic electroluminescent elements, and organic electroluminescent element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2017-07-25 US disclosed
US-9716238-B2 Boron compound for organic electroluminescent elements, and organic electroluminescent element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2017-07-25 US disclosed
US-20160020397-A1 BORON COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2016-01-21 US disclosed
US-20160020397-A1 BORON COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2016-01-21 US disclosed
US-20150218191-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2015-08-06 US disclosed
US-20150218191-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2015-08-06 US disclosed
US-20150041785-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2015-02-12 US disclosed
US-20150041785-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2015-02-12 US disclosed
US-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors AMGEN INC. (US) 2012-06-28 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-20160020397-A1 BORON COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT EBPL, CDYL, L3MBTL3 L3MBTL1 10/4885CLK4 547/4885KDM4E 567/4885
US-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors MTOR, PIKFYVE, RICTOR L3MBTL1 2849/4885CLK4 508/4885KDM4E 743/4885
US-20150218191-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT EBPL, ELOC, EML4 L3MBTL1 117/4885CLK4 1338/4885KDM4E 1194/4885

“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.