SCHEMBL19630768

SCHEMBL19630768

O=C(Nc1nc2ccc(C(F)(F)F)cc2s1)c1cc(Cl)ccc1ONCCO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 12/20 0.55
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
DYRK1A Q13627 1/20 0.51
ACP1 P24666 1/20 0.49
PDE4B Q07343 1/20 0.49
DCLK1 O15075 1/20 0.48
FES P07332 1/20 0.48
PIM1 P11309 1/20 0.48
CDK2 P24941 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
IRAK1 P51617 1/20 0.48
MAP4K2 Q12851 1/20 0.48
NTRK3 Q16288 1/20 0.48
HIPK4 Q8NE63 1/20 0.48
AURKB Q96GD4 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48

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
SCHEMBL19630876 0.85 DYRK1A (0.51) CSNK1DDYRK1AACP1NCS1LRRK2
SCHEMBL17770327 0.85 KDM4E (0.69) CSNK1DKDM4EGAANPSR1RXFP1
SCHEMBL24044886 0.83 CSNK1D (0.56) CSNK1DKDM4EGAANPSR1RXFP1
SCHEMBL17770524 0.82 KDM4E (0.55) CSNK1DKDM4EGAANPSR1RXFP1
SCHEMBL19631005 0.81 CSNK1D (0.55) CSNK1DKDM4EGAANPSR1RXFP1
SCHEMBL19630775 0.81 KDM4E (0.43) KDM4EGAANPSR1RXFP1DCLK1
SCHEMBL30472744 0.81 CSNK1D (0.62) CSNK1DDYRK1AACP1MAP4K5LRRK2
SCHEMBL17770389 0.81 CSNK1D (0.62) CSNK1DDYRK1AACP1MAP4K5LRRK2
Monoethanolamine SCHEMBL19612081 0.81 CSNK1D (0.58) CSNK1DDYRK1AACP1MAP4K5
SCHEMBL19612158 0.81 KDM4E (0.54) CSNK1DKDM4EGAANPSR1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227315-B2 Mitochondrial uncouplers for treatment of metabolic diseases and cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-03-12 US disclosed
US-20170334869-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2017-11-23 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 (2 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-10227315-B2 Mitochondrial uncouplers for treatment of metabolic diseases and cancer AK2, PC, GLS2 CSNK1D 3205/4885KDM4E 1323/4885GAA 468/4885
US-20170334869-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER AK2, PC, GLS2 CSNK1D 3164/4885KDM4E 1333/4885GAA 572/4885

“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.