SCHEMBL25839464

SCHEMBL25839464

COCCS(=O)(=O)N1CCN(c2ccc(C(C)C)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.48
TP53 P04637 3/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMO Q99835 3/20 0.45
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
THRB P10828 1/20 0.43
KDM2B Q8NHM5 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL23544827 0.85 ALDH1A1 (0.48) KCNH2TP53ALDH1A1RECQLNPSR1
SCHEMBL25840577 0.85 MEN1 (0.55) KCNH2TP53POLBSMOMAPT
SCHEMBL14923965 0.84 KDM4E (0.56) ALDH1A1RECQLNPSR1MAPTMEN1
SCHEMBL23544849 0.77 CYP17A1 (0.50) TP53ALDH1A1RECQLNPSR1MAPT
SCHEMBL11977001 0.76 MEN1 (0.52) POLBALDH1A1RECQLNPSR1MAPT
SCHEMBL12089874 0.76 KDM2B (0.55) ALDH1A1MAPTMEN1KMT2AKDM2B
SCHEMBL25844474 0.74 L3MBTL1 (0.47) ALDH1A1LMNA
SCHEMBL20251137 0.73 MAPT (0.51) TP53ALDH1A1MAPTMEN1KMT2A
SCHEMBL25839409 0.73 MEN1 (0.55) KCNH2MAPTMEN1KMT2AKDM2B
SCHEMBL14923988 0.73 KMT2A (0.72) POLBALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 US disclosed
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 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-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 KCNH2 2676/4885TP53 1441/4885POLB 2819/4885

“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.