SCHEMBL25992000

SCHEMBL25992000

N#Cc1cc(C#N)c(-c2nc(-c3c(C#N)cc(C#N)cc3C#N)c(C#N)c(-c3c(C#N)cc(C#N)cc3C#N)c2C#N)c(C#N)c1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
VCAM1 P19320 1/20 0.31
KHK P50053 1/20 0.30

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
SCHEMBL25992002 0.84 KHK (0.36) KHK
SCHEMBL25992003 0.83 KHK (0.36) ADORA2AADORA1KHK
SCHEMBL2040623 0.76 VCAM1 (0.41) VCAM1
SCHEMBL21918828 0.74 VCAM1 (0.39) VCAM1
SCHEMBL25991967 0.72 KHK (0.36) KHK
SCHEMBL25992005 0.72 STS (0.38) ADORA2AADORA1
SCHEMBL25992015 0.71 ADORA1 (0.41) ADORA2AADORA1
SCHEMBL25991962 0.68 KHK (0.40) ADORA2AADORA1KHK
SCHEMBL4960159 0.67 TTR (0.41) VCAM1
SCHEMBL21896545 0.67 VCAM1 (0.34) ADORA2AADORA1VCAM1

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 ADORA2A 1718/4885ADORA1 3376/4885VCAM1 4386/4885

“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.