SCHEMBL31582291

SCHEMBL31582291

CCC(=O)Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.65
▸ ADORA1 P30542 6/20 0.60
▸ ADORA2A P29274 5/20 0.60
▸ ADORA3 P0DMS8 5/20 0.60
▸ ADORA2B P29275 3/20 0.60
▸ ALDH1A1 P00352 4/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ GAA P10253 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ HPGD P15428 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ATM Q13315 1/20 0.47
▸ RECQL P46063 1/20 0.46
▸ GPR84 Q9NQS5 1/20 0.45

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
SCHEMBL31582535 0.80 POLB (0.67) POLBADORA1ADORA2AALDH1A1KDM4E
SCHEMBL31582377 0.80 POLB (0.66) POLBADORA1ADORA2AALDH1A1KDM4E
SCHEMBL30738275 0.77 POLB (0.62) POLBADORA3ALDH1A1KDM4EGAA
SCHEMBL31582349 0.77 POLB (0.55) POLBALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL17451134 0.76 ADORA1 (0.69) ADORA1ADORA2AADORA3ADORA2BALDH1A1
SCHEMBL6505603 0.75 ADORA1 (1.00) ADORA1ADORA2AADORA3ADORA2BALDH1A1
SCHEMBL11272208 0.74 GAA (0.60) POLBADORA1ADORA2AADORA3ALDH1A1
SCHEMBL2323756 0.73 ALDH1A1 (0.67) POLBADORA1ADORA2AADORA2BALDH1A1
SCHEMBL9892890 0.72 HTT (0.60) POLBADORA1ADORA2AADORA3ADORA2B
SCHEMBL2321152 0.71 GPR84 (0.55) POLBALDH1A1KDM4EGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163006-A1 New Coolants, and Preparations Containing Same SYMRISE AG (DE) 2025-05-22 — — US claimed
WO-2025132323-A1 COMPOSITIONS COMPRISING A SUNSCREEN ACTIVE AGENT DSM-FIRMENICH AG (CH) 2025-06-26 — — WO disclosed
US-20250163006-A1 New Coolants, and Preparations Containing Same SYMRISE AG (DE) 2025-05-22 — — 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-20250163006-A1 New Coolants, and Preparations Containing Same TTR, TAS2R5, TAS2R50 POLB 2898/4885ADORA1 2108/4885ADORA2A 2257/4885

“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.

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