SCHEMBL25751530

SCHEMBL25751530

N[C@H]1CCN(Cc2ccncc2)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PKM P14618 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
GBA1 P04062 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TRPV6 Q9H1D0 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
BLM P54132 1/20 0.43
HPGD P15428 1/20 0.43
LSS P48449 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
SCHEMBL2035515 1.00 MEN1 (0.48) MEN1KMT2APKMSIGMAR1GBA1
SCHEMBL2035511 1.00 MEN1 (0.48) MEN1KMT2APKMSIGMAR1GBA1
SCHEMBL27196341 0.90 CYP3A4 (0.51) MEN1KMT2APKMCYP1A2CYP3A4
SCHEMBL27196338 0.90 CYP3A4 (0.51) MEN1KMT2APKMCYP1A2CYP3A4
SCHEMBL1586376 0.89 SIGMAR1 (0.50) MEN1KMT2ASIGMAR1ALDH1A1TRPV6
SCHEMBL8100035 0.89 SIGMAR1 (0.50) MEN1KMT2ASIGMAR1ALDH1A1TRPV6
Hydrochloric Acid SCHEMBL2674716 0.88 SIGMAR1 (0.49) MEN1KMT2ASIGMAR1ALDH1A1TRPV6
Hydrochloric Acid SCHEMBL6039717 0.88 SIGMAR1 (0.49) MEN1KMT2ASIGMAR1ALDH1A1TRPV6
SCHEMBL330609 0.82 ACHE (0.58) SIGMAR1CYP1A2CYP3A4ALDH1A1
SCHEMBL239922 0.82 ACHE (0.58) SIGMAR1CYP1A2CYP3A4ALDH1A1

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-20230203044-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230203044-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 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-20230203044-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME NLRP3, PYCARD, NLRP1 MEN1 2992/4885KMT2A 3325/4885PKM 3024/4885

“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.