SCHEMBL9958201

SCHEMBL9958201

[c]1ccc(-c2ccnc3c2ccc2cccnc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.54
CCR8 P51685 5/20 0.54
L3MBTL1 Q9Y468 5/20 0.54
CCR5 P51681 3/20 0.54
LMNA P02545 4/20 0.52
MAPT P10636 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MMP2 P08253 2/20 0.52
TSHR P16473 2/20 0.52
HSP90AA1 P07900 2/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
GMNN O75496 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MMP9 P14780 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52

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
SCHEMBL30287028 0.85 CCR1 (0.59) CCR1CCR8L3MBTL1CCR5LMNA
Phenanthroline SCHEMBL10705881 0.85 CCR1 (0.59) CCR1CCR8L3MBTL1CCR5LMNA
SCHEMBL451290 0.85 CCR1 (0.59) CCR1CCR8L3MBTL1CCR5LMNA
SCHEMBL22362606 0.83 CCR1 (0.57) CCR1CCR8L3MBTL1CCR5LMNA
SCHEMBL9957799 0.83 CCR1 (0.50) CCR1CCR8L3MBTL1CCR5LMNA
SCHEMBL28649286 0.82 L3MBTL1 (0.53) CCR1CCR8L3MBTL1CCR5LMNA
SCHEMBL1701024 0.82 CCR1 (0.56) CCR1CCR8L3MBTL1CCR5LMNA
SCHEMBL8656107 0.81 CCR1 (0.54) CCR1CCR8L3MBTL1CCR5LMNA
SCHEMBL30964093 0.81 CCR1 (0.54) CCR1CCR8L3MBTL1CCR5LMNA
SCHEMBL19318059 0.81 CCR1 (0.54) CCR1CCR8L3MBTL1CCR5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113710662-A Heterocyclic compound and organic light-emitting device including same LT素材株式会社 2021-11-26 CN disclosed
US-9624193-B2 Cyclic azine derivatives, processes for producing these, and organic electroluminescent element containing these as component TOSOH CORPORATION (JP) 2017-04-18 US disclosed
US-20150329544-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT TOSOH CORPORATION (JP) 2015-11-19 US disclosed
US-9120773-B2 Cyclic azine derivatives, processes for producing these, and organic electroluminescent element containing these as component TOSOH CORPORATION (JP) 2015-09-01 US disclosed
EP-2818462-A1 Cyclic azine derivatives, processes for producing these, and organic electrolumiscent element containing these as component TOSOH CORPORATION (JP) 2014-12-31 EP disclosed
US-20120214993-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT SAGAMI CHEMICAL RESEARCH INSTITUTE, (JP) 2012-08-23 US disclosed
EP-2468731-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT Tosoh Corporation (JP) 2012-06-27 EP 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-20150329544-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT CPNE4, EPB41, AZI2 CCR1 2913/4885CCR8 3995/4885L3MBTL1 2259/4885
US-20120214993-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT CPNE4, EPB41, AZI2 CCR1 2913/4885CCR8 3995/4885L3MBTL1 2259/4885

“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.