SCHEMBL5407208

SCHEMBL5407208

CCn1nc(C#N)cc1O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
CYP11B2 P19099 1/20 0.33
ESR1 P03372 1/20 0.32
AURKA O14965 1/20 0.30
RPS6KB1 P23443 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL9879787 0.80 KDM4E (0.36) KDM4EESR1
SCHEMBL1233997 0.80 ADORA2A (0.37) KDM4EADORA2AADORA2BCYP11B2AURKA
SCHEMBL1232387 0.78 CYP11B2 (0.33) ADORA2AADORA2BCYP11B2
SCHEMBL20517377 0.78 ADORA2A (0.36) ADORA2AADORA2BCYP11B2
SCHEMBL31094729 0.77 GRN (0.36) KDM4EAURKARPS6KB1LMNA
SCHEMBL14116468 0.76 KDM4E (0.32) KDM4EADORA2AADORA2BCYP11B2
SCHEMBL12724798 0.76 CNR1 (0.32) ADORA2AADORA2BCYP11B2
SCHEMBL1234911 0.75
SCHEMBL1234051 0.74 CYP11B2 (0.31) CYP11B2
SCHEMBL31094725 0.73 CYP11B1 (0.41) KDM4ECYP11B2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279444-B2 Substituted benzoylpyrazoles BAYER CROPSCIENCE GMBH (DE) 2007-10-09 US disclosed
US-7279444-B2 Substituted benzoylpyrazoles BAYER CROPSCIENCE GMBH (DE) 2007-10-09 US disclosed
US-20040248740-A1 Substituted benzoylpyrazoles MULLER KLAUS-HELMUT (DE) 2004-12-09 US disclosed
US-6746989-B1 HAVE STRONG HERBICIDAL ACTIVITY AND BROAD ACTIVITY SPECTRUM WHEN APPLIED TO SOIL AND ON ABOVE-GROUND PARTS OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2004-06-08 US disclosed
EP-1165547-B1 SUBSTITUTED BENZOYLPYRAZOLES AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2003-08-27 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 (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-20040248740-A1 Substituted benzoylpyrazoles CYP1B1, CYP1A1, CYP2E1 KDM4E 1285/4885ADORA2A 3135/4885ADORA2B 2728/4885

“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.