SCHEMBL21397098

SCHEMBL21397098

Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.40
PDE1C Q14123 2/20 0.40
KDM4E B2RXH2 7/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
ALDH1A1 P00352 8/20 0.37
HPGD P15428 6/20 0.37
RXFP1 Q9HBX9 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
LMNA P02545 3/20 0.36
GAA P10253 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL21396826 0.90 CYP11B2 (0.38) PDE9APDE1CAKR1C4AKR1C3AKR1C2
SCHEMBL21378041 0.89 PDE9A (0.35) PDE9APDE1CKDM4EL3MBTL1ATM
SCHEMBL21397085 0.89 PDE10A (0.35) PDE9APDE1CKDM4EAKR1C4AKR1C3
SCHEMBL19909047 0.88 CYP11B2 (0.38) PDE9APDE1CKDM4EL3MBTL1BCHE
SCHEMBL21414257 0.88 PDE9A (0.37) PDE9APDE1CKDM4EL3MBTL1ATM
SCHEMBL22156712 0.86 PDE9A (0.37) PDE9APDE1CKDM4EL3MBTL1ATM
SCHEMBL14079149 0.85 KDM4E (0.48) KDM4EL3MBTL1ATMAKR1C4AKR1C3
SCHEMBL14079144 0.85 KDM4E (0.48) KDM4EL3MBTL1ATMAKR1C4AKR1C3
SCHEMBL1322395 0.85 KDM4E (0.52) KDM4EL3MBTL1ATMAKR1C4AKR1C3
SCHEMBL3779321 0.85 KDM4E (0.52) KDM4EL3MBTL1ATMAKR1C4AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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

“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.