SCHEMBL5148745

SCHEMBL5148745

COc1ccc(-n2nc(N)cc2-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.58
BCL2 P10415 3/20 0.56
MCL1 Q07820 3/20 0.56
RPA1 P27694 2/20 0.51
PTGS2 P35354 4/20 0.49
PTGS1 P23219 2/20 0.48
FABP3 P05413 1/20 0.48
FABP4 P15090 1/20 0.48
MGLL Q99685 1/20 0.47
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
IKBKE Q14164 1/20 0.46
CCKAR P32238 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL14504382 0.87 MDM2 (0.60) MDM2BCL2MCL1RPA1PTGS2
SCHEMBL5148720 0.86 MDM2 (0.56) MDM2BCL2MCL1RPA1PTGS2
SCHEMBL5152268 0.86 MDM2 (0.61) MDM2BCL2MCL1RPA1PTGS2
SCHEMBL5147862 0.86 MDM2 (0.59) MDM2BCL2MCL1RPA1PTGS2
SCHEMBL5434625 0.85 MDM2 (0.57) MDM2BCL2MCL1RPA1PTGS2
SCHEMBL5150511 0.84 MDM2 (0.56) MDM2BCL2MCL1RPA1PTGS2
SCHEMBL5148751 0.84 PTGS2 (0.54) RPA1PTGS2PTGS1NPSR1CA1
SCHEMBL6192120 0.83 MDM2 (0.55) MDM2BCL2MCL1RPA1PTGS2
SCHEMBL5147902 0.82 MDM2 (0.57) MDM2BCL2MCL1RPA1PTGS2
SCHEMBL5148990 0.82 MDM2 (0.54) MDM2BCL2MCL1RPA1PTGS2

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 6 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
US-20040116475-A1 Pyrazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 US 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 MDM2 1492/4885BCL2 2334/4885MCL1 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.