SCHEMBL822576

SCHEMBL822576

Cn1c(-c2ccccc2)nc2c3ccccc3c3ccccc3c21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.55
KDM4E B2RXH2 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 1/20 0.55
TLR7 Q9NYK1 1/20 0.53
ADORA2B P29275 4/20 0.47
ADORA2A P29274 3/20 0.47
ADORA3 P0DMS8 2/20 0.46
ADORA1 P30542 1/20 0.46
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
DHODH Q02127 1/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
CDK2 P24941 1/20 0.43
PLK1 P53350 1/20 0.43
BTK Q06187 1/20 0.43

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
SCHEMBL13625405 0.90 KDM4E (0.52) HPGDKDM4EMEN1KMT2AMAPT
SCHEMBL762055 0.87 KMT2A (0.50) HPGDKDM4EMEN1KMT2AMAPT
SCHEMBL762312 0.87 KDM4E (0.50) HPGDKDM4EMEN1KMT2AMAPT
SCHEMBL16692184 0.87 KDM4E (0.50) HPGDKDM4EMEN1KMT2AMAPT
SCHEMBL762153 0.85 TLR7 (0.44) HPGDKDM4EMEN1KMT2AMAPT
SCHEMBL31598846 0.85 HPGD (0.49) HPGDKDM4EMEN1KMT2AMAPT
SCHEMBL762484 0.85 TLR7 (0.44) HPGDKDM4EMEN1KMT2AMAPT
SCHEMBL16692180 0.84 KDM4E (0.48) HPGDKDM4EMEN1KMT2AMAPT
SCHEMBL16692125 0.84 KDM4E (0.48) HPGDKDM4EMEN1KMT2AMAPT
SCHEMBL15763114 0.84 KDM4E (0.55) HPGDKDM4EMEN1KMT2AMAPT

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
EP-2590967-B1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS UDC IRELAND LTD (IE) 2019-05-15 EP disclosed
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-9067919-B2 Use of dibenzofurans and dibenzothiophenes substituted by nitrogen-bonded five-membered heterocyclic rings in organic electronics BASF SE (DE) 2015-06-30 US disclosed
US-20150137083-A1 CONJUGATED AROMATIC DERIVATIVES AND ORGANIC LIGHT EMITTING DIODE USING THE SAME NATIONAL TSING HUA UNIVERSITY (TW) 2015-05-21 US disclosed
US-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-31 US disclosed
US-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-31 US disclosed
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS BASF SE (DE) 2012-01-12 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 (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-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME H1-2, L1CAM, H1-0 HPGD 2787/4885KDM4E 2763/4885MEN1 822/4885
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS DDT, DBF4, POU5F1 HPGD 2063/4885KDM4E 1835/4885MEN1 2732/4885

“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.