SCHEMBL25329856

SCHEMBL25329856

Cc1c(C)c2c(c(-c3ccccc3)c1N)Cc1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
ACHE P22303 7/20 0.40
BCHE P06276 1/20 0.40
KDR P35968 2/20 0.38
SQOR Q9Y6N5 1/20 0.38
PNMT P11086 1/20 0.35
MAP3K9 P80192 1/20 0.35
MAP3K11 Q16584 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PGR P06401 1/20 0.33

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
SCHEMBL29177882 0.84 ADORA2A (0.44) ADORA2AADORA1ACHEBCHEKDR
SCHEMBL27927828 0.83 ADORA2A (0.49) ADORA2AADORA1ACHEBCHEKDR
SCHEMBL28305768 0.82 ADORA2A (0.47) ADORA2AADORA1ACHEBCHEKDR
SCHEMBL8031980 0.80 ADORA2A (0.49) ADORA2AADORA1ACHEBCHEKDR
SCHEMBL21925182 0.78 ACHE (0.41) ADORA2AADORA1ACHEBCHEKDR
SCHEMBL29177879 0.77 ADORA2A (0.49) ADORA2AADORA1ACHEBCHEKDR
SCHEMBL29730500 0.76 MAP3K9 (0.46) ADORA2AADORA1ACHEBCHEKDR
SCHEMBL28145785 0.76 MAP3K9 (0.46) ADORA2AADORA1ACHEBCHEKDR
SCHEMBL31123421 0.76 MAP3K9 (0.46) ADORA2AADORA1ACHEBCHEKDR
SCHEMBL27965525 0.76 MAP3K9 (0.42) ADORA2AADORA1ACHEBCHEKDR

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-20230242702-A1 METHOD FOR OBTAINING BIOSOURCED POLYEPOXIDES WITH IMPROVED PROPERTIES ROQUETTE FRERES (FR) 2023-08-03 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-20230242702-A1 METHOD FOR OBTAINING BIOSOURCED POLYEPOXIDES WITH IMPROVED PROPERTIES EPHX2, EPHX1, TET3 ADORA2A 2697/4885ADORA1 2475/4885ACHE 647/4885

“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.