SCHEMBL25815772

SCHEMBL25815772

CCC(=O)c1cc(C(=O)OC)n(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.51
CYP2C19 P33261 3/20 0.51
PKM P14618 1/20 0.50
BAZ2B Q9UIF8 1/20 0.47
BAZ2A Q9UIF9 1/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
USP4 Q13107 1/20 0.38
USP7 Q93009 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37

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
SCHEMBL9713997 0.84 CYP1A2 (0.57) CYP1A2CYP2C19PKMMEN1KMT2A
SCHEMBL21570127 0.81 CYP1A2 (0.55) CYP1A2CYP2C19PKMMEN1KMT2A
SCHEMBL11063029 0.81 CYP1A2 (0.55) CYP1A2CYP2C19PKMMEN1KMT2A
SCHEMBL17838293 0.78 CYP1A2 (0.47) CYP1A2CYP2C19PKMBAZ2BBAZ2A
SCHEMBL16416490 0.78 CYP1A2 (0.52) CYP1A2CYP2C19PKMMEN1KMT2A
SCHEMBL13766359 0.77 MEN1 (0.48) CYP1A2CYP2C19PKMMEN1KMT2A
SCHEMBL17838295 0.77 CYP1A2 (0.55) CYP1A2CYP2C19PKMMEN1KMT2A
SCHEMBL16403996 0.73 RAB9A (0.45) BAZ2BBAZ2AMEN1KMT2AKDM4E
SCHEMBL20515037 0.73 CYP1A2 (0.47) CYP1A2CYP2C19PKMMEN1KMT2A
SCHEMBL11199134 0.73 CYP1A2 (0.47) CYP1A2CYP2C19PKMMEN1KMT2A

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-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2023-06-15 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-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY NLRP3, NLRP1, IL1B CYP1A2 391/4885CYP2C19 2017/4885PKM 2331/4885

“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.