SCHEMBL24633362

SCHEMBL24633362

CCCC(CCC)c1nnc2c(N)ncnn12

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 2/20 0.32
ADORA2A P29274 6/20 0.32
ADORA1 P30542 5/20 0.32
ADORA2B P29275 3/20 0.32
PI4KA P42356 2/20 0.31
PI4K2B Q8TCG2 2/20 0.31
PI4K2A Q9BTU6 2/20 0.31
PI4KB Q9UBF8 2/20 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
SCHEMBL22797022 0.87 ADORA2A (0.33) ACVRL1ADORA2AADORA1ADORA2BPI4KA
SCHEMBL20756209 0.79 ADA (0.41)
SCHEMBL20756060 0.79 ADORA2A (0.34) ACVRL1ADORA2AADORA1ADORA2BPI4KA
SCHEMBL24633373 0.76 ACVRL1 (0.34) ACVRL1
SCHEMBL24633433 0.76 TLR7 (0.33) ACVRL1ADORA2AADORA1ADORA2BPI4KA
SCHEMBL22349649 0.74 TLR7 (0.32) ACVRL1ADORA2AADORA1ADORA2BPI4KA
SCHEMBL24117695 0.71 TLR7 (0.36)
SCHEMBL19354212 0.70 ADORA2A (0.38) ACVRL1ADORA2AADORA1ADORA2BPI4KA
SCHEMBL19352648 0.70 PI4KA (0.35) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL22349721 0.69 ACVRL1 (0.32) ACVRL1ADORA2AADORA1ADORA2BPI4KA

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-11472826-B2 Acyclic antivirals JANSSEN PHARMACEUTICA NV (BE) 2022-10-18 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-11472826-B2 Acyclic antivirals PNP, DUT, TYMP ACVRL1 1916/4885ADORA2A 161/4885ADORA1 245/4885

“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.