SCHEMBL21378041

SCHEMBL21378041

Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc(-n3c4ccccc4c4ncccc43)cc2)cc(-n2c3ccccc3c3cc(C)ccc32)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
PDE1C Q14123 1/20 0.34
ELANE P08246 1/20 0.33
USP14 P54578 2/20 0.33
CYP11B2 P19099 1/20 0.33
COMT P21964 1/20 0.33
TNKS2 Q9H2K2 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
PDE10A Q9Y233 1/20 0.32
THRB P10828 1/20 0.31
KDM4E B2RXH2 4/20 0.31
ALDH1A1 P00352 4/20 0.31
HPGD P15428 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL21397085 0.90 PDE10A (0.35) PDE9AAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL21397097 0.90 KDM4E (0.35) AKR1C4AKR1C3AKR1C2AKR1C1USP14
SCHEMBL21397098 0.89 PDE9A (0.40) PDE9AAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL21396581 0.89 CYP11B2 (0.34) USP14CYP11B2KDM4EALDH1A1HPGD
SCHEMBL21396826 0.85 CYP11B2 (0.38) PDE9AAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL21396876 0.84 KDM4E (0.34) USP14CYP11B2TNKS2KDM4EALDH1A1
SCHEMBL19909047 0.83 CYP11B2 (0.38) PDE9APDE1CELANECYP11B2THRB
SCHEMBL21397086 0.83 CYP11B2 (0.33) CYP11B2KDM4EALDH1A1HPGDHTT
SCHEMBL23296396 0.82 CYP11B2 (0.37) PDE9AELANECYP11B2KDM4EALDH1A1
SCHEMBL31273231 0.82 CYP11B2 (0.38) CYP11B2PDE10AKDM4EL3MBTL1

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 PDE9A 4069/4885AKR1C4 3938/4885AKR1C3 3798/4885
US-11608333-B2 Composition of matter for use in organic light-emitting diodes CRY2, SLCO1B3, NDUFV3 PDE9A 4069/4885AKR1C4 3938/4885AKR1C3 3798/4885

“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.