SCHEMBL5148807

SCHEMBL5148807

CCOc1cc(-c2ccc(OCCNC(N)=O)cc2)n(-c2ccc(OC)nc2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.42
MDM2 Q00987 2/20 0.42
MCL1 Q07820 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
PTGS2 P35354 10/20 0.39
PTGS1 P23219 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38
CHRNA7 P36544 1/20 0.38
SMO Q99835 1/20 0.37

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
SCHEMBL5147693 0.94 MALT1 (0.41) BCL2MDM2MCL1PTGS2PTGS1
SCHEMBL5148724 0.92 BCL2 (0.45) BCL2MDM2MCL1SMN1; SMN2PTGS2
SCHEMBL5148781 0.91 BCL2 (0.47) BCL2MDM2MCL1SMN1; SMN2PTGS2
SCHEMBL5148888 0.90 PIK3CA (0.36) BCL2MDM2MCL1PTGS2PTGS1
SCHEMBL5152341 0.90 PTGS2 (0.41) PTGS2PTGS1MALT1FABP3FABP4
SCHEMBL5152083 0.89 MDM2 (0.39) BCL2MDM2MCL1MALT1FABP3
SCHEMBL5148825 0.88 MALT1 (0.43) PTGS2MALT1FABP3FABP4PIK3CA
SCHEMBL5152133 0.87 PTGS2 (0.39) BCL2MDM2MCL1PTGS2PTGS1
SCHEMBL6210679 0.87 BCL2 (0.43) BCL2MDM2MCL1PTGS2PTGS1
SCHEMBL14504712 0.86 PTGS2 (0.39) PTGS2MALT1FABP3FABP4

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 3 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

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 BCL2 2334/4885MDM2 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.