SCHEMBL25992003

SCHEMBL25992003

N#Cc1cc(F)cc(C#N)c1-c1nc(-c2c(C#N)cc(F)cc2C#N)c(C#N)c(-c2c(C#N)cc(F)cc2C#N)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.36
ADORA2A P29274 4/20 0.33
ADORA1 P30542 4/20 0.33
ADORA2B P29275 2/20 0.33
DHODH Q02127 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TRPV4 Q9HBA0 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL25992000 0.83 ADORA2A (0.31) KHKADORA2AADORA1
SCHEMBL25992004 0.79 TRPV4 (0.36) KHKADORA2AADORA1ADORA2BDHODH
SCHEMBL25991967 0.78 KHK (0.36) KHKTRPV4
SCHEMBL25992002 0.76 KHK (0.36) KHKCYP11B1CYP11B2TRPV4
SCHEMBL25991962 0.74 KHK (0.40) KHKADORA2AADORA1ADORA2BDHODH
SCHEMBL25991973 0.72 TRPV4 (0.36) KHKADORA2AADORA1ADORA2BTRPV4
SCHEMBL25992018 0.72 ADORA1 (0.43) ADORA2AADORA1ADORA2BKDM4E
SCHEMBL2234841 0.71 TRPV4 (0.48) KHKADORA2AADORA1DHODHCYP11B1
SCHEMBL25991971 0.70
SCHEMBL29824357 0.68 KHK (0.36) KHKADORA2AADORA1ADORA2BDHODH

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 KHK 3132/4885ADORA2A 1718/4885ADORA1 3376/4885

“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.