SCHEMBL4885869

SCHEMBL4885869

CCCNS(=O)(=O)c1cnc2cccnn12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.44
KLK7 P49862 1/20 0.44
CDK2 P24941 1/20 0.42
PKM P14618 1/20 0.42
TNF P01375 6/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
LMNA P02545 1/20 0.38
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
DYRK1A Q13627 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
SCHEMBL2064992 0.73 TNF (0.55) CDK1KLK7TNFMKNK1CA12
SCHEMBL1203686 0.73 MKNK1 (0.46) CDK1KLK7CDK2TNFMKNK1
SCHEMBL19493137 0.69 MKNK1 (0.42) CDK1KLK7CDK2SMN1; SMN2MKNK1
SCHEMBL23768212 0.67 MKNK1 (0.46) CDK1KLK7MKNK1PDE4APDE4B
SCHEMBL16831885 0.67 SMN1; SMN2 (0.61) GAASMN1; SMN2LMNACA12CA9
SCHEMBL4572217 0.66 MKNK1 (0.49) CDK1KLK7MKNK1PDE4APDE4B
SCHEMBL31529438 0.66 KLK7 (0.36) KLK7MKNK1DYRK1A
SCHEMBL432525 0.66 TNF (0.61) CDK2TNFDYRK1A
SCHEMBL25420964 0.65 ABL1 (0.36) KLK7MKNK1DYRK1A
SCHEMBL25420963 0.65 ABL1 (0.36) KLK7MKNK1DYRK1A

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-20080269052-A1 USE of PYRIDINE-2-OXY-3-CARBOXAMIDES AS SAFENERS BAYER CROPSCIENCE AG (DE) 2008-10-30 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-20080269052-A1 USE of PYRIDINE-2-OXY-3-CARBOXAMIDES AS SAFENERS CBR3, CBR1, CYP4Z1 CDK1 1483/4885KLK7 4679/4885CDK2 1820/4885

“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.