SCHEMBL23564334

SCHEMBL23564334

CCCCCCC(C)c1ccnc(C)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.38
ADA P00813 2/20 0.35
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
SLC2A1 P11166 1/20 0.32
BDKRB2 P30411 1/20 0.32
FAAH O00519 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL23869472 0.85 GPR84 (0.35) GPR84ADAKCNH2KDM4EHPGD
SCHEMBL24359772 0.81 GRM4 (0.34) KDM4E
SCHEMBL27814382 0.81 TLR8 (0.46) GPR84ADA
SCHEMBL28841518 0.80 DNM2 (0.36) GPR84ADA
SCHEMBL18879376 0.77 KDM4E (0.43) GPR84ADAKDM4EHPGDMEN1
SCHEMBL26489338 0.75 TLR8 (0.34) BDKRB2
SCHEMBL20072427 0.75 FAAH (0.40) GPR84ADASLC2A1FAAH
SCHEMBL19261307 0.75 KCNH2 (0.41) GPR84ADAKCNH2KDM4EMEN1
SCHEMBL29316557 0.75 KCNH2 (0.41) GPR84ADAKCNH2KDM4EMEN1
SCHEMBL10340564 0.74 ACACB (0.45) KDM4ESLC2A1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188845-A1 SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY 2021-06-24 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-20210188845-A1 SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKA, DGKZ, DGKK GPR84 626/4885ADA 2533/4885KCNH2 1363/4885

“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.