SCHEMBL30060005

SCHEMBL30060005

Fc1cc2cccnc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.55
PDK1 Q15118 1/20 0.40
HTT P42858 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 2/20 0.38
HSP90AA1 P07900 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
MMP2 P08253 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
MMP8 P22894 1/20 0.38
CCR1 P32246 1/20 0.38
THPO P40225 1/20 0.38

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
SCHEMBL25805441 1.00 CYP2A6 (0.55) CYP2A6PDK1HTTKDM4ETP53
SCHEMBL13909528 0.77 CYP2A6 (0.56) CYP2A6PDK1HTTKDM4ETP53
SCHEMBL2919083 0.75 CYP2A6 (0.55) CYP2A6PDK1HTTKDM4ETP53
SCHEMBL12434 0.75 CYP2A6 (0.55) CYP2A6PDK1HTTKDM4ETP53
SCHEMBL16023618 0.75 CYP2A6 (0.55) CYP2A6PDK1HTTKDM4ETP53
SCHEMBL24611854 0.75 CYP2A6 (0.55) CYP2A6PDK1HTTKDM4ETP53
SCHEMBL1107219 0.75 CYP2A6 (0.55) CYP2A6PDK1HTTKDM4ETP53
SCHEMBL12266347 0.75 CYP2A6 (0.55) CYP2A6PDK1HTTKDM4ETP53
SCHEMBL31001776 0.75 CYP2A6 (0.50) CYP2A6PDK1HTTKDM4ETP53
SCHEMBL31204608 0.75 CYP2A6 (0.50) CYP2A6PDK1HTTKDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4457224-A1 HETEROCYCLIC COMPOUNDS BeiGene Switzerland GmbH (CH) 2024-11-06 EP disclosed
CN-118451073-A Heterocyclic compounds 百济神州有限公司 2024-08-06 CN disclosed
WO-2023125681-A1 HETEROCYCLIC COMPOUNDS BEIGENE, LTD. (KY) 2023-07-06 WO disclosed
US-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2022-12-13 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-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 CYP2A6 2374/4885PDK1 1571/4885HTT 2591/4885

“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.