SCHEMBL21605136

SCHEMBL21605136

NNc1cccc2c1CCN2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
P2RX7 Q99572 2/20 0.37
PARP1 P09874 3/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
PARP10 Q53GL7 3/20 0.33
PARP11 Q9NR21 3/20 0.33
CRBN Q96SW2 1/20 0.31
CD44 P16070 1/20 0.31

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
Hydrochloric Acid SCHEMBL21598427 0.98 NOTUM (0.39) NOTUMP2RX7PARP1BCHEACHE
SCHEMBL21605256 0.89 GRIA1 (0.38) P2RX7BCHE
Hydrochloric Acid SCHEMBL21598419 0.87 GRIA1 (0.37) P2RX7BCHE
Hydrochloric Acid SCHEMBL30147766 0.87 GRIA1 (0.37) P2RX7BCHE
SCHEMBL20462066 0.81 NOTUM (0.40) NOTUMP2RX7PARP1PARP10PARP11
SCHEMBL257377 0.78 GAA (0.45) NOTUMP2RX7PARP1CRBN
SCHEMBL28227757 0.77 P2RX7 (0.37) NOTUMP2RX7PARP1PARP10PARP11
SCHEMBL4665676 0.76 MAPT (0.46) NOTUMP2RX7PARP1BCHEACHE
SCHEMBL6583559 0.75 NOTUM (0.36) NOTUMP2RX7PARP1PARP10PARP11
SCHEMBL27453211 0.74 NOTUM (0.39) NOTUMP2RX7

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
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
EP-3807266-B1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-25 EP disclosed
US-11040031-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-06-22 US disclosed
WO-2019243964-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO 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-11040031-B2 Pyrazole derivatives as MALT1 inhibitors MALT1, PPP3R1, SQSTM1 NOTUM 3635/4885P2RX7 3678/4885PARP1 2714/4885

“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.