SCHEMBL21605071

SCHEMBL21605071

N#Cc1cncc(NN)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HTT P42858 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
RAF1 P04049 1/20 0.36
MAP4K4 O95819 1/20 0.36
IDO1 P14902 1/20 0.35
CHRNB2 P17787 5/20 0.34
CHRNA4 P43681 5/20 0.34
CHRNB4 P30926 4/20 0.34
CHRNA3 P32297 4/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
LRRK2 Q5S007 1/20 0.33

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 SCHEMBL30147906 0.98 KDM4E (0.45) KDM4EALDH1A1LMNAGAAL3MBTL1
Hydrochloric Acid SCHEMBL21598403 0.98 KDM4E (0.45) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL14007397 0.79 ALDH1A1 (0.44) KDM4EALDH1A1CYP11B1CYP11B2JAK2
SCHEMBL936524 0.77 CYP11B1 (0.47) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL23940274 0.76 RAF1 (0.37) ALDH1A1CYP11B1CYP11B2JAK2JAK1
SCHEMBL23928405 0.76 SCN10A (0.43) ALDH1A1CYP11B1CYP11B2JAK2JAK1
SCHEMBL8750888 0.75 XDH (0.41) LMNACYP11B1CYP11B2HTTJAK2
SCHEMBL8244430 0.75 SCN10A (0.37) CYP11B1CYP11B2JAK2JAK1RAF1
SCHEMBL8750751 0.75 CHEK1 (0.42) CYP11B1CYP11B2RAF1SCN10A
Hydrochloric Acid SCHEMBL28737416 0.74 CYP11B1 (0.46) KDM4EALDH1A1LMNAGAAL3MBTL1

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-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 KDM4E 3312/4885ALDH1A1 2534/4885LMNA 3838/4885

“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.