SCHEMBL943134

SCHEMBL943134

Brc1c[c]cc2c1OCC2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.31

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
SCHEMBL944599 0.75 PARP1 (0.31) PARP1
SCHEMBL11023512 0.72 MEN1 (0.36)
SCHEMBL943496 0.72 XDH (0.30)
SCHEMBL14813317 0.69 SMN1; SMN2 (0.37)
SCHEMBL153211 0.68 AHR (0.45) PARP1
SCHEMBL1057902 0.68 PARP1 (0.52) PARP1
SCHEMBL2767946 0.66 PARP1 (0.36) PARP1
SCHEMBL24200079 0.65 PARP1 (0.35) PARP1
SCHEMBL8118010 0.65 GAA (0.39) PARP1
SCHEMBL30768292 0.65 AKT1 (0.40) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629273-B2 Diazinylpyrazolyl compounds BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-14 US disclosed
US-8513260-B2 Pyrazinylpyrazoles BAYER CROPSCIENCE AG (DE) 2013-08-20 US disclosed
EP-2435420-B1 Pyrazinylpyrazoles BAYER CROPSCIENCE AG (DE) 2013-04-03 EP disclosed
US-20120190687-A1 Pyrazinylpyrazoles BAYER CROPSCIENCE AG 2012-07-26 US disclosed
US-20110124660-A1 Novel Diazinylpyrazolyl Compounds BAYER CROPSCIENCE AG (DE) 2011-05-26 US disclosed
US-20110021539-A1 Pyrazinylpyrazoles BAYER CROPSCIENCE AG (DE) 2011-01-27 US disclosed
EP-2266973-A1 Pyrazinylpyrazole Bayer CropScience AG (DE) 2010-12-29 EP 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 (3 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-20110021539-A1 Pyrazinylpyrazoles CYP4F3, CYP4B1, CYP1A2 PARP1 3818/4885
US-20120190687-A1 Pyrazinylpyrazoles CYP4F3, CYP4B1, CYP1A2 PARP1 3818/4885
US-20110124660-A1 Novel Diazinylpyrazolyl Compounds DDT, PDHX, RECQL PARP1 1579/4885

“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.