SCHEMBL25992018

SCHEMBL25992018

N#Cc1c(-c2cc(F)cc(F)c2)nc(-c2cc(F)cc(F)c2)c(C#N)c1-c1cc(F)cc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 14/20 0.43
ADORA2A P29274 7/20 0.43
ADORA2B P29275 3/20 0.43
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PIK3CD O00329 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL25992017 0.90 GRM5 (0.43) ADORA1ADORA2AADORA2B
SCHEMBL25991989 0.86 ADORA1 (0.38) ADORA1ADORA2AADORA2B
SCHEMBL25991965 0.85 TRPV4 (0.45) ADORA1ADORA2AADORA2B
SCHEMBL25992015 0.78 ADORA1 (0.41) ADORA1ADORA2AADORA2B
SCHEMBL15298292 0.74 ADORA1 (0.54) ADORA1ADORA2AADORA2BKDM4EMEN1
SCHEMBL25992004 0.73 TRPV4 (0.36) ADORA1ADORA2AADORA2B
SCHEMBL25992019 0.73 ADORA2A (0.38) ADORA1ADORA2A
SCHEMBL25992003 0.72 KHK (0.36) ADORA1ADORA2AADORA2BKDM4E
SCHEMBL25991975 0.70 ADORA1 (0.35) ADORA1ADORA2AADORA2B
SCHEMBL25992384 0.70 XDH (0.46) ADORA1ADORA2AADORA2BKMT2A

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 ADORA1 3376/4885ADORA2A 1718/4885ADORA2B 3723/4885

“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.