SCHEMBL21378005

SCHEMBL21378005

Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C#N)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2ccc(-n3c4ccccc4c4cnccc43)cc2)c1-n1c2ccc(C)cc2c2cc(C)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.37
PDE1C Q14123 1/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
RXFP1 Q9HBX9 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
GAA P10253 2/20 0.36
CYP11B2 P19099 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACHE P22303 2/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35

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
SCHEMBL21378023 1.00 PDE9A (0.37) PDE9APDE1CKDM4EALDH1A1HPGD
SCHEMBL21396606 0.94 PDE9A (0.37) PDE9APDE1CKDM4EALDH1A1HPGD
SCHEMBL21396902 0.94 PDE9A (0.37) PDE9APDE1CKDM4EALDH1A1HPGD
SCHEMBL21378078 0.91 CYP11B2 (0.38) PDE9APDE1CKDM4EALDH1A1HPGD
SCHEMBL21378029 0.90 KDM4E (0.39) PDE9APDE1CKDM4EALDH1A1HPGD
SCHEMBL21396826 0.86 CYP11B2 (0.38) PDE9APDE1CALDH1A1CYP11B2ACHE
SCHEMBL21377954 0.86 RXFP1 (0.35) KDM4EALDH1A1HPGDRXFP1CYP1A2
SCHEMBL31273310 0.86 PDE9A (0.39) PDE9APDE1CKDM4EALDH1A1HPGD
SCHEMBL21378007 0.85 CYP11B2 (0.38) PDE9APDE1CKDM4EALDH1A1HPGD
SCHEMBL21304043 0.84 PDE1C (0.43) PDE9APDE1CKDM4EALDH1A1HPGD

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 4069/4885PDE1C 4875/4885KDM4E 4364/4885
US-11608333-B2 Composition of matter for use in organic light-emitting diodes CRY2, SLCO1B3, NDUFV3 PDE9A 4069/4885PDE1C 4875/4885KDM4E 4364/4885

“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.