SCHEMBL5139738

SCHEMBL5139738

O=C(Cn1cc(-c2ncon2)cn1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.41
POLB P06746 2/20 0.40
HPGD P15428 1/20 0.39
ADORA2A P29274 3/20 0.38
ADORA1 P30542 3/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
PLAA Q9Y263 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
PDK2 Q15119 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5138925 0.77 SRC (0.40) SRCPOLBHPGDALPIALPG
SCHEMBL31054978 0.73 KMT2A (0.48) SRCPOLBHPGDALPIALPG
SCHEMBL31055021 0.73 SRC (0.45) SRCPOLBHPGDALPIALPG
SCHEMBL31055029 0.73 POLB (0.56) SRCPOLBALPIALPGPLAA
SCHEMBL8986686 0.73 SRC (0.45) SRCPOLBHPGDALPIALPG
SCHEMBL5139377 0.72 SRC (0.43) SRCPOLBHPGDALPIALPG
SCHEMBL31489893 0.70 PDK2 (0.45) SRCPDK2
SCHEMBL5138924 0.70 POLB (0.45) SRCPOLBALPIALPGPLAA
SCHEMBL100362 0.69 GRM4 (0.58)
SCHEMBL29540471 0.69 GRM4 (0.58)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345080-B2 Substituted 4-pyrazolyl pyrazonlines used for pest control BAYER CROPSCIENCE AG (DE) 2008-03-18 US disclosed
US-20050159603-A1 Substituted 4-pyrazolyl pyrazonlines used for pest control BAYER CROPSCIENCE AG (DE) 2005-07-21 US disclosed
EP-1478644-A1 SUBSTITUTED 4-PYRAZOLYL PYRAZOLINES USED FOR PEST CONTROL Bayer CropScience AG (DE) 2004-11-24 EP disclosed
WO-2003070724-A1 SUBSTITUTED 4-PYRAZOLYL PYRAZOLINES USED FOR PEST CONTROL BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-08-28 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-20050159603-A1 Substituted 4-pyrazolyl pyrazonlines used for pest control L3MBTL4, L3MBTL3, PTMS SRC 3552/4885POLB 4747/4885HPGD 4084/4885

“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.