SCHEMBL9956248

SCHEMBL9956248

CN(C)c1c(Cl)cc(C(C#N)C(=O)C(F)(F)F)cc1Cl

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 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
SCHEMBL7271334 0.79 KMT2A (0.32)
SCHEMBL7271607 0.79 GRN (0.35)
SCHEMBL10097959 0.78 DPP4 (0.30)
SCHEMBL20767316 0.78 SLC6A3 (0.41)
SCHEMBL1008191 0.75 MDM2 (0.40)
SCHEMBL1008766 0.72 RAPGEF3 (0.40)
SCHEMBL166050 0.72 HDAC4 (0.41) PDK1PDK2PDK3PDK4
SCHEMBL15527543 0.72 EDNRB (0.34)
SCHEMBL1005803 0.71 PPARD (0.33) PDK1PDK2PDK3PDK4
SCHEMBL6097343 0.68 TSHR (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9066945-B2 Ectoparasiticidal active substance combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
US-9066945-B2 Ectoparasiticidal active substance combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
US-9066945-B2 Ectoparasiticidal active substance combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
US-20140179623-A1 ECTOPARASITICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-26 US disclosed
US-20140179623-A1 ECTOPARASITICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-26 US disclosed
US-20140179623-A1 ECTOPARASITICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-26 US disclosed
EP-2654425-A2 ECTOPARASITICIDAL ACTIVE SUBSTANCE COMBINATIONS Bayer Intellectual Property GmbH (DE) 2013-10-30 EP disclosed
WO-2012084852-A2 ECTOPARASITICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER ANIMAL HEALTH GMBH (DE) 2012-06-28 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-20140179623-A1 ECTOPARASITICIDAL ACTIVE SUBSTANCE COMBINATIONS EPX, CAT, PIGO PDK1 888/4885PDK2 228/4885PDK3 286/4885

“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.