SCHEMBL21598445

SCHEMBL21598445

Cc1nccc(NN)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
P2RX7 Q99572 1/20 0.34
CYP2A6 P11509 1/20 0.32
NOS3 P29474 3/20 0.30
NOS2 P35228 3/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NOS1 P29475 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NR4A2 P43354 1/20 0.30
POLB P06746 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL17547276 0.81 METAP2 (0.37) CYP2A6KMT2AKDM4EL3MBTL1NR4A2
SCHEMBL30147759 0.78 CA12 (0.37) CA1CA2CA9CA12CA14
SCHEMBL21598449 0.78 CA12 (0.37) CA1CA2CA9CA12CA14
SCHEMBL21598407 0.78 CA12 (0.33) CA1CA2CA9CA12CA14
SCHEMBL30147742 0.78 CA12 (0.33) CA1CA2CA9CA12CA14
SCHEMBL23542621 0.77 NOS3 (0.35) CA1CA2CA9CA12CA14
SCHEMBL21598417 0.75 CA12 (0.35) CA1CA2CA9CA12CA14
SCHEMBL7693439 0.75 PDE3B (0.33) NOS3NOS2KDM4ENOS1
SCHEMBL21598451 0.75 CCR4 (0.35) NOS3NOS2KMT2AKDM4EMEN1
SCHEMBL4405300 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3807266-B1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-25 EP disclosed
EP-3807266-B1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-25 EP disclosed
CN-112585128-B Pyrazole derivatives as MALT1 inhibitors 詹森药业有限公司 2023-02-21 CN disclosed
US-11040031-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-06-22 US disclosed
US-11040031-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-06-22 US disclosed
EP-3807266-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS Janssen Pharmaceutica N.V. (BE) 2021-04-21 EP disclosed
CN-112585128-A Pyrazole derivatives as MALT1 inhibitors 詹森药业有限公司 2021-03-30 CN disclosed
WO-2019243964-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO 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 CA1 4143/4885CA2 4086/4885CA9 4590/4885

“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.