SCHEMBL822550

SCHEMBL822550

Cn1c(-c2ccccc2)nc2ccc3ccccc3c21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.51
PDE10A Q9Y233 1/20 0.49
TLR7 Q9NYK1 1/20 0.47
ATM Q13315 1/20 0.46
ADORA2A P29274 2/20 0.45
ADORA2B P29275 2/20 0.45
CYP11B2 P19099 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL13632770 0.87 DHODH (0.47) DHODHPDE10ATLR7ATMADORA2A
SCHEMBL13632778 0.85 DHODH (0.49) DHODHPDE10ATLR7ATMADORA2A
SCHEMBL22707441 0.81 F2 (0.42) DHODHPDE10AATMCYP11B2NPC1
SCHEMBL9300779 0.81 PDE10A (0.52) PDE10ACYP11B2NPC1RAB9AKDM4E
SCHEMBL24476759 0.79 HCAR1 (0.49) NPC1RAB9AKDM4ESMN1; SMN2LMNA
SCHEMBL9218314 0.78 TLR7 (0.62) DHODHPDE10ATLR7ATMADORA2A
SCHEMBL23961097 0.77 LMNA (0.42) DHODHPDE10AATMNPC1RAB9A
SCHEMBL1104852 0.76 DHODH (0.61) DHODHTLR7ATMADORA2AADORA2B
SCHEMBL18799867 0.76 PDE10A (0.51) PDE10AATMCYP11B2NPC1RAB9A
SCHEMBL8671081 0.76 KDM4E (0.53) PDE10AKDM4EKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 DHODH 4223/4885PDE10A 4738/4885TLR7 2951/4885
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS DDT, DBF4, POU5F1 DHODH 203/4885PDE10A 3398/4885TLR7 2730/4885

“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.