SCHEMBL7587040

SCHEMBL7587040

NC(=O)c1cc(-c2cccnc2)n2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 13/20 0.58
MKNK2 Q9HBH9 12/20 0.49
MAP2K3 P46734 1/20 0.43
RAD51 Q06609 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDR P35968 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41

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
SCHEMBL7843650 0.74 MKNK1 (0.46) MKNK1MKNK2MAP2K3KMT2A
SCHEMBL7586432 0.73 CYP11B2 (0.45) RAD51KDR
SCHEMBL27843160 0.72 FNTA (0.58) KMT2A
SCHEMBL7587012 0.72 MKNK1 (0.46) MKNK1MKNK2MAP2K3RAD51KMT2A
SCHEMBL7584938 0.72 CYP11B2 (0.47) MKNK1MKNK2MAP2K3RAD51
SCHEMBL30514275 0.70 BCAT2 (0.67) MKNK1MKNK2KMT2ARXFP1PKN1
SCHEMBL31227976 0.70 BCAT2 (0.67) MKNK1MKNK2KMT2ARXFP1PKN1
SCHEMBL167082 0.70 BCAT2 (0.67) MKNK1MKNK2KMT2ARXFP1PKN1
SCHEMBL7589148 0.70 CYP11B2 (0.48) MKNK1MKNK2MAP2K3RAD51RXFP1
Hydrochloric Acid SCHEMBL30165666 0.69 BCAT2 (0.65) MKNK1MKNK2KMT2ARXFP1PKN1

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
US-20020006380-A1 Pyrrole derivatives, their preparation and pharmaceutical compositions containing them MIGNANI SERGE (FR) 2002-01-17 US claimed
EP-1086100-A1 PYRROLE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2001-03-28 EP claimed
WO-1999064419-A1 PYRROLE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 1999-12-16 WO claimed
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 MKNK1 4073/4885MKNK2 4131/4885MAP2K3 3829/4885

“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.