SCHEMBL25992017

SCHEMBL25992017

N#Cc1cc(F)cc(-c2nc(-c3cc(F)cc(C#N)c3)c(C#N)c(-c3cc(F)cc(C#N)c3)c2C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.43
KCNH2 Q12809 1/20 0.40
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
ADORA2B P29275 1/20 0.39
MAP4K4 O95819 1/20 0.39

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
SCHEMBL25992018 0.90 ADORA1 (0.43) ADORA2AADORA1ADORA2B
SCHEMBL25992015 0.88 ADORA1 (0.41) GRM5ADORA2AADORA1ADORA2B
SCHEMBL25991989 0.80 ADORA1 (0.38) GRM5ADORA2AADORA1ADORA2B
SCHEMBL25991965 0.79 TRPV4 (0.45) GRM5ADORA2AADORA1ADORA2B
SCHEMBL25992384 0.79 XDH (0.46) GRM5ADORA2AADORA1ADORA2B
SCHEMBL13606452 0.75 GRM5 (0.53) GRM5KCNH2MAP4K4
SCHEMBL26633008 0.74 ADORA1 (0.56) ADORA2AADORA1ADORA2BMAP4K4
SCHEMBL56741 0.69 GRM5 (0.43) GRM5
SCHEMBL1421650 0.69 GRM5 (0.47) GRM5
SCHEMBL25992004 0.68 TRPV4 (0.36) ADORA2AADORA1ADORA2B

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 GRM5 3480/4885KCNH2 749/4885ADORA2A 1718/4885

“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.