SCHEMBL13300321

SCHEMBL13300321

Nc1c(-c2ccccc2)c(C(F)(F)F)nn1-c1ncccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.64
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40

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
SCHEMBL1006043 0.87 POLB (0.49) POLBMEN1KMT2AGLASMN1; SMN2
SCHEMBL1005169 0.87 POLB (0.49) POLBL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL13300323 0.87 POLB (0.52) POLBL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL13300327 0.84 POLB (0.49) POLBL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL13300345 0.83 POLB (0.42) POLBL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL1008749 0.81 POLB (0.43) POLBKMT2AGABRPGABRDGABRA1
SCHEMBL13300328 0.81 GABRP (0.45) POLBL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL13300341 0.80 POLB (0.50) POLBL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL1005105 0.79 GABRP (0.49) POLBGABRPGABRDGABRA1GABRB1
SCHEMBL1004265 0.79 ADORA2A (0.46) POLBMEN1KMT2AGABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144672-A1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS BAYER CROPSCIENCE AG (DE) 2010-06-10 US 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-20100144672-A1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS PIR, ITPA, DDT POLB 2253/4885L3MBTL1 2853/4885ALDH1A1 646/4885

“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.