SCHEMBL21378086

SCHEMBL21378086

Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)c(-n2c3ccccc3c3cc(C)ccc32)c(-n2c3ccccc3c3cc(C)ccc32)c(-c2cccc(-n3c4ccccc4c4ncccc43)c2)c1-n1c2ccccc2c2cc(C)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.36
ELANE P08246 1/20 0.34
PDE9A O76083 2/20 0.33
CYP11B2 P19099 1/20 0.33
PDE1C Q14123 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
HTT P42858 3/20 0.32
MAPT P10636 3/20 0.32
CYP2C9 P11712 2/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
MAPK1 P28482 2/20 0.32
KMT2A Q03164 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL21378012 0.99 PTGDR2 (0.36) PTGDR2ELANEPDE9ACYP11B2PDE1C
SCHEMBL21378066 0.93 CYP11B2 (0.35) CYP11B2ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL21396583 0.90 ALDH1A1 (0.34) PTGDR2ELANEPDE9ACYP11B2PDE1C
SCHEMBL21396868 0.90 ALDH1A1 (0.34) PTGDR2ELANEPDE9ACYP11B2PDE1C
SCHEMBL21911833 0.87 CYP11B2 (0.34) CYP11B2ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL21378078 0.86 CYP11B2 (0.38) PTGDR2ELANEPDE9ACYP11B2PDE1C
SCHEMBL21378007 0.86 CYP11B2 (0.38) PTGDR2ELANEPDE9ACYP11B2PDE1C
SCHEMBL21840868 0.83 CYP11B2 (0.36) PTGDR2CYP11B2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL23983406 0.83 RECQL (0.34) CYP11B2ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL24327954 0.82 CYP11B2 (0.39) PDE9ACYP11B2PDE1CALDH1A1KDM4E

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-11608333-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-03-21 US disclosed
US-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-09-26 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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 PTGDR2 3664/4885ELANE 1300/4885PDE9A 4069/4885
US-11608333-B2 Composition of matter for use in organic light-emitting diodes CRY2, SLCO1B3, NDUFV3 PTGDR2 3664/4885ELANE 1300/4885PDE9A 4069/4885

“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.