SCHEMBL5148951

SCHEMBL5148951

C=C(C)c1cc(-c2ccc(OCCNC(N)=O)cc2)n(-c2ccc(OC)nc2)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 5/20 0.41
MDM2 Q00987 5/20 0.41
MCL1 Q07820 4/20 0.41
BCL2 P10415 3/20 0.41
CHRNA7 P36544 1/20 0.41
RPA1 P27694 4/20 0.40
PTGS2 P35354 4/20 0.39
PTGS1 P23219 1/20 0.39
MARS1 P56192 1/20 0.39

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
SCHEMBL5148826 0.92 MDM2 (0.43) MALT1MDM2MCL1BCL2CHRNA7
SCHEMBL5147693 0.89 MALT1 (0.41) MALT1MDM2MCL1BCL2CHRNA7
SCHEMBL14504716 0.89 MDM2 (0.42) MALT1MDM2MCL1BCL2CHRNA7
SCHEMBL5152209 0.88 CA12 (0.41) MALT1MDM2MCL1BCL2CHRNA7
SCHEMBL6209746 0.88 MDM2 (0.42) MALT1MDM2MCL1BCL2CHRNA7
SCHEMBL5148825 0.86 MALT1 (0.43) MALT1RPA1PTGS2
SCHEMBL5148755 0.86 MDM2 (0.40) MALT1MDM2MCL1BCL2CHRNA7
SCHEMBL5148750 0.86 MALT1 (0.45) MALT1MDM2MCL1BCL2CHRNA7
SCHEMBL5147720 0.86 MALT1 (0.47) MALT1CHRNA7PTGS2
SCHEMBL5148807 0.86 BCL2 (0.42) MALT1MDM2MCL1BCL2CHRNA7

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-1567503-B1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS ASTELLAS PHARMA INC (JP) 2011-12-21 EP disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
EP-1567503-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 EP disclosed
WO-2004050632-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 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-20070112037-A1 Pyrazole Derivatives CYP11B2, CYP11B1, CYP3A43 MALT1 1227/4885MDM2 1492/4885MCL1 1748/4885

“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.