SCHEMBL5152076

SCHEMBL5152076

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 12/20 0.44
SMO Q99835 1/20 0.42
MALT1 Q9UDY8 4/20 0.41
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CHRNA7 P36544 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL5148813 0.92 RPA1 (0.47) RPA1SMOMALT1CACNA1GCACNA1H
SCHEMBL5148847 0.88 RPA1 (0.55) RPA1MALT1CACNA1GCACNA1HCHRNA7
Hydrochloric Acid SCHEMBL5151848 0.88 MALT1 (0.43) RPA1SMOMALT1CHRNA7NFKB1
SCHEMBL5148755 0.87 MDM2 (0.40) RPA1MALT1CHRNA7NFKB1NFKB2
SCHEMBL5148772 0.87 RPA1 (0.42) RPA1SMOMALT1CHRNA7
SCHEMBL14504508 0.87 MALT1 (0.42) RPA1SMOMALT1CHRNA7NFKB1
SCHEMBL14504623 0.86 MALT1 (0.43) RPA1SMOMALT1CHRNA7NFKB1
SCHEMBL5152187 0.85 RPA1 (0.44) RPA1SMOMALT1CACNA1GCACNA1H
SCHEMBL14504534 0.84 MALT1 (0.39) RPA1SMOMALT1CHRNA7NFKB1
SCHEMBL5532092 0.83 MALT1 (0.41) RPA1MALT1CHRNA7NFKB1NFKB2

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 RPA1 2143/4885SMO 3090/4885MALT1 1227/4885

“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.