SCHEMBL3177261

SCHEMBL3177261

NC(=O)c1[c]c(-c2ccc(Cl)cc2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 8/20 0.47
NTRK1 P04629 1/20 0.40
PIM1 P11309 1/20 0.40
ACVR1 Q04771 1/20 0.40
KMO O15229 1/20 0.40
IKBKB O14920 3/20 0.39
CASP1 P29466 1/20 0.39
FYN P06241 1/20 0.39
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
RAB9A P51151 1/20 0.36
PARP1 P09874 1/20 0.36
FGFR1 P11362 1/20 0.35
SRC P12931 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35

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
SCHEMBL4950838 0.84 PIM1 (0.40) NTRK1PIM1ACVR1CASP1MKNK1
SCHEMBL18554602 0.83 CDC7 (0.40) NTRK1PIM1IKBKBMKNK1MKNK2
SCHEMBL4946402 0.77 ERN1 (0.43) KMOIKBKBMKNK1MKNK2
SCHEMBL2586506 0.75 CDK8 (0.38) MAP4K4PIM1ACVR1FYNMKNK1
SCHEMBL4945696 0.74 LIPG (0.42)
SCHEMBL11973162 0.73 NOTUM (0.39) MAP4K4KMORAB9A
SCHEMBL14880353 0.72 NOTUM (0.38) MAP4K4KMORAB9A
SCHEMBL11907002 0.71 MKNK1 (0.41) MKNK1MKNK2
SCHEMBL1551487 0.70 MKNK1 (0.41) IKBKBMKNK1MKNK2PARP1
SCHEMBL11906973 0.69 IKBKB (0.40) MAP4K4PIM1IKBKBMKNK1MKNK2

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-1252139-B1 TRIFLUOROMETHYLPYRROLE CARBOXAMIDES AND TRIFLUOROMETHYLPYRROLETHIOAMIDES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-03-31 EP disclosed
US-7109150-B2 Trifluoromethylpyrrolecarboxamides and trifluoromethylpyrrolethioamides as fungicides SYNGENTA CROP PROTECTION, INC. (US) 2006-09-19 US disclosed
US-20040171490-A1 Trifluoromethylpyrrolecarboxamides and Trifluoromethylpyrrolethioamides as fungicides WALTER HARALD (CH) 2004-09-02 US disclosed
US-6699818-B1 CONTROLLING INFESTATION OF CULTIVATED PLANTS BY PHYTOPATHOGENIC MICROORGANISMS SYNGENTA CROP PROTECTION, INC. 2004-03-02 US disclosed
EP-1252139-A1 TRIFLUOROMETHYLPYRROLE CARBOXAMIDES AND TRIFLUOROMETHYLPYRROLETHIOAMIDES AS FUNGICIDES Syngenta Participations AG (CH) 2002-10-30 EP disclosed
WO-2001049664-A1 TRIFLUOROMETHYLPYRROLE CARBOXAMIDES AND TRIFLUOROMETHYLPYRROLETHIOAMIDES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-07-12 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-20040171490-A1 Trifluoromethylpyrrolecarboxamides and Trifluoromethylpyrrolethioamides as fungicides CBR3, CBR1, PYCR1 MAP4K4 1466/4885NTRK1 4411/4885PIM1 390/4885

“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.