SCHEMBL20155161

SCHEMBL20155161

Cc1ccc2cnc(CCc3ccc4ncc(C)nc4c3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
NQO2 P16083 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GFER P55789 1/20 0.34
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
GRM2 Q14416 1/20 0.31
PDE10A Q9Y233 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL28206083 0.78 HTR2C (0.43) CYP1A2NQO2NPC1RAB9AGFER
SCHEMBL8344116 0.77 CYP1A2 (0.54) CYP1A2NQO2NPC1RAB9AALDH1A1
SCHEMBL29639029 0.77 CYP1A2 (0.54) CYP1A2NQO2NPC1RAB9AALDH1A1
SCHEMBL30578800 0.77 CYP1A2 (0.54) CYP1A2NQO2NPC1RAB9AALDH1A1
SCHEMBL21707839 0.74 CYP1A2 (0.37) CYP1A2HTR2CHTR2BPDE10A
SCHEMBL22837059 0.74 CYP1A2 (0.44) CYP1A2KMT2AALDH1A1NPSR1PDE10A
SCHEMBL22968487 0.72 PDE10A (0.42) CYP1A2KMT2AALDH1A1NPSR1GRM2
SCHEMBL21360900 0.71 PDGFRB (0.39) CYP1A2KMT2AMEN1NPC1RAB9A
SCHEMBL6844954 0.70 CYP1A2 (0.54) CYP1A2NQO2NPC1RAB9AALDH1A1
SCHEMBL29639043 0.70 CYP1A2 (0.54) CYP1A2NQO2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10964893-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2021-03-30 US disclosed
US-20180138419-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2018-05-17 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-20180138419-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, SLCO4C1 CYP1A2 789/4885NQO2 1722/4885KMT2A 2934/4885
US-10964893-B2 Organic electroluminescent materials and devices OCIAD2, OCIAD1, SLCO4C1 CYP1A2 789/4885NQO2 1722/4885KMT2A 2934/4885

“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.