SCHEMBL25992005

SCHEMBL25992005

N#Cc1ccc(-c2nc(-c3ccc(C#N)cc3C#N)c(C#N)c(-c3ccc(C#N)cc3C#N)c2C#N)c(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.38
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
ADORA1 P30542 4/20 0.34
ADORA2A P29274 3/20 0.34
ADORA2B P29275 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP11B1 P15538 3/20 0.31
CYP11B2 P19099 3/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 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
SCHEMBL25992009 0.82 ADORA1 (0.44) ESR1ESR2ADORA1ADORA2AADORA2B
SCHEMBL25992007 0.79 ADORA1 (0.44) ADORA1ADORA2AADORA2BCYP11B1CYP11B2
SCHEMBL25418472 0.75 STS (0.50) STSIMPDH2IMPDH1ALDH1A1TSHR
SCHEMBL25992000 0.72 ADORA2A (0.31) ADORA1ADORA2A
SCHEMBL25992013 0.67 ADORA1 (0.58) ADORA1ADORA2AADORA2BALDH1A1
SCHEMBL25991970 0.67 ADORA2A (0.31) ADORA1ADORA2A
SCHEMBL5633361 0.66 STS (0.54) STSESR2ALDH1A1TSHR
SCHEMBL23081548 0.65 CA1 (0.39) STSIMPDH2IMPDH1ALDH1A1DYRK1A
SCHEMBL2751361 0.65 STS (0.37) STSIMPDH2IMPDH1ESR1ESR2
SCHEMBL30488974 0.65 IMPDH2 (0.45) STSIMPDH2IMPDH1ALDH1A1TSHR

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-20230263053-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2023-08-17 US disclosed
US-20230263053-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2023-08-17 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 (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-20230263053-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME PPOX, CRY1, CRY2 STS 2873/4885IMPDH2 1180/4885IMPDH1 1557/4885

“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.