SCHEMBL25752180

SCHEMBL25752180

CC(CCn1cnc2c(N)ncnc21)[SH](C)C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.62
ADORA1 P30542 6/20 0.62
ADORA2B P29275 2/20 0.62
PI4KA P42356 3/20 0.57
PI4K2B Q8TCG2 3/20 0.57
PI4K2A Q9BTU6 3/20 0.57
PI4KB Q9UBF8 3/20 0.57
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NSD3 Q9BZ95 1/20 0.51
AHCY P23526 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.49

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
SCHEMBL19841 0.85 ADORA2A (0.69) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL23513431 0.83 ADORA2A (0.71) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL12922451 0.82 ADORA2A (0.68) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL16526337 0.82 ADORA2A (0.69) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL11222112 0.80 ADORA2A (0.80) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL11986907 0.78 ADORA2A (0.59) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL12922453 0.78 ADORA2A (0.67) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL233405 0.77 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL29387721 0.77 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL4088282 0.77 ADORA2A (0.70) ADORA2AADORA1ADORA2BPI4KAPI4K2B

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-20230190797-A1 COMPOSITIONS AND METHODS FOR ADOPTIVE CELL THERAPY MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-06-22 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-20230190797-A1 COMPOSITIONS AND METHODS FOR ADOPTIVE CELL THERAPY HAVCR2, CD4, CCR1 ADORA2A 1309/4885ADORA1 2149/4885ADORA2B 2919/4885

“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.