SCHEMBL21605149

SCHEMBL21605149

CC(C)(C)OC(=O)Nc1ccnc(NN)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.48
▸ METAP1 P53582 1/20 0.40
▸ PIK3CD O00329 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ HCK P08631 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ EPHB4 P54760 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ MAPKAPK2 P49137 3/20 0.38
▸ P2RX7 Q99572 1/20 0.37
▸ CYP17A1 P05093 3/20 0.37
▸ AAK1 Q2M2I8 2/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36

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
SCHEMBL30629673 1.00 ATR (0.48) ATRMETAP1PIK3CDABL1EGFR
SCHEMBL30888170 0.83 ATR (0.59) ATRMETAP1MAPKAPK2CYP17A1AAK1
SCHEMBL30645938 0.81 ATR (0.50) ATRMETAP1MAPKAPK2CYP17A1AAK1
SCHEMBL21598420 0.78 DHODH (0.37) —
SCHEMBL22249532 0.77 ATR (0.52) ATRMETAP1MAPKAPK2CYP17A1AAK1
SCHEMBL31600006 0.77 ATR (0.43) ATRMETAP1PIK3CDABL1EGFR
SCHEMBL23209488 0.76 ATR (0.51) ATRMETAP1MAPKAPK2CYP17A1AAK1
SCHEMBL22249470 0.76 ATR (0.51) ATRMETAP1MAPKAPK2CYP17A1AAK1
SCHEMBL1866287 0.76 ATR (0.58) ATRMETAP1PIK3CDABL1EGFR
SCHEMBL4393718 0.76 ATR (0.58) ATRMETAP1MAPKAPK2CYP17A1AAK1

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 5 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
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
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

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 ATR 2505/4885METAP1 1969/4885PIK3CD 1077/4885

“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.

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