SCHEMBL9957019

SCHEMBL9957019

[c]1ccc(-c2ccccn2)c(-c2cccnc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.58
NPC1 O15118 2/20 0.46
TP53 P04637 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
DCTPP1 Q9H773 1/20 0.40
VHL P40337 1/20 0.39
GRM5 P41594 1/20 0.39
CYP11B1 P15538 1/20 0.39
CBFB Q13951 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL9957277 0.94 CYP2A6 (0.58) CYP2A6NPC1TP53RAB9ASMN1; SMN2
SCHEMBL9957913 0.86 TGFBR1 (0.45) CYP2A6NPC1TP53RAB9ASMN1; SMN2
SCHEMBL9958037 0.84 CYP2A6 (0.52) CYP2A6TP53SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL9957921 0.83 NPC1 (0.42) CYP2A6NPC1TP53RAB9ASMN1; SMN2
SCHEMBL9958408 0.83 CYP2A6 (0.47) CYP2A6TP53SMN1; SMN2TSHRCYP1A2
SCHEMBL28594337 0.83 CYP2A6 (0.47) CYP2A6TP53SMN1; SMN2TSHRCYP1A2
SCHEMBL9957898 0.82 KDM4E (0.50) CYP2A6NPC1TP53RAB9ASMN1; SMN2
SCHEMBL9958191 0.80 TGFBR1 (0.45) CYP2A6NPC1TP53RAB9ASMN1; SMN2
SCHEMBL9957629 0.77 NPC1 (0.42) CYP2A6NPC1TP53RAB9ASMN1; SMN2
SCHEMBL13765093 0.76 CYP2A6 (0.68) CYP2A6NPC1TP53RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-102574813-B Cyclic azine derivatives, process for producing the same, and organic electroluminescent element containing the same as constituent TOSOH CORP. (JP) 2016-03-30 CN 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
CN-102574813-A Cyclic azine derivatives, process for producing the same, and organic electroluminescent element containing the same as constituent TOSOH CORP 2012-07-11 CN 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 CYP2A6 3586/4885NPC1 3259/4885TP53 3452/4885
US-20120214993-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT CPNE4, EPB41, AZI2 CYP2A6 3586/4885NPC1 3259/4885TP53 3452/4885

“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.