SCHEMBL7591015

SCHEMBL7591015

NC(=O)c1c(Cl)c(-c2cccnc2)n2c1C(=O)C(Br)CC2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
MKNK1 Q9BUB5 8/20 0.39
MKNK2 Q9HBH9 8/20 0.39
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
CYP11B2 P19099 5/20 0.36
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
F2 P00734 1/20 0.34
F12 P00748 1/20 0.34
MAPT P10636 1/20 0.34
KLK7 P49862 1/20 0.34
KLK5 Q9Y337 1/20 0.34

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
SCHEMBL2157432 0.79 CYP11B2 (0.44) KCNH2MKNK1MKNK2CSNK1DCSNK1E
SCHEMBL2158156 0.77 MKNK1 (0.39) KCNH2MKNK1MKNK2CSNK1DCSNK1E
SCHEMBL7964580 0.76 CYP11B2 (0.43) KCNH2MKNK1MKNK2CSNK1DCSNK1E
SCHEMBL7964582 0.76 CYP11B2 (0.43) KCNH2MKNK1MKNK2CSNK1DCSNK1E
SCHEMBL2158122 0.76 CYP11B2 (0.43) KCNH2MKNK1MKNK2CSNK1DCSNK1E
SCHEMBL7946379 0.75 CYP11B2 (0.42) KCNH2MKNK1MKNK2CSNK1DCSNK1E
SCHEMBL895772 0.74 MKNK1 (0.41) KCNH2MKNK1MKNK2CSNK1DCSNK1E
SCHEMBL7953077 0.73 MKNK1 (0.40) KCNH2MKNK1MKNK2CSNK1DCSNK1E
SCHEMBL2158254 0.73 MKNK1 (0.43) KCNH2MKNK1MKNK2CSNK1DCSNK1E
SCHEMBL2157354 0.73 MKNK1 (0.39) KCNH2MKNK1MKNK2CSNK1DCSNK1E

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
US-20020006380-A1 Pyrrole derivatives, their preparation and pharmaceutical compositions containing them MIGNANI SERGE (FR) 2002-01-17 US disclosed
EP-1086100-A1 PYRROLE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2001-03-28 EP disclosed
WO-1999064419-A1 PYRROLE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 1999-12-16 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-20020006380-A1 Pyrrole derivatives, their preparation and pharmaceutical compositions containing them TNF, IL2, ZC3HAV1 KCNH2 365/4885MKNK1 4073/4885MKNK2 4131/4885

“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.