SCHEMBL4056368

SCHEMBL4056368

CCCOc1ccc(-c2cnc(CO)cn2)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.41
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
LIMK1 P53667 1/20 0.36
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
SCN9A Q15858 1/20 0.34
ACACB O00763 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL4059345 0.86 PDE10A (0.41) LIMK1ALOX5APFEN1SCN9ACYP1A2
SCHEMBL4060457 0.84 PDK2 (0.42) PDK2THRATHRBLIMK1PTPN7
SCHEMBL4056987 0.80 MAPK8 (0.39) PDK2THRATHRBLIMK1PTPN7
SCHEMBL3198256 0.78 PDK2 (0.43) PDK2THRATHRBLIMK1PTPN7
SCHEMBL1437847 0.74 PDK2 (0.41) PDK2THRATHRBPTPN7DUSP3
SCHEMBL1436432 0.73 AKR1C3 (0.45) PDK2PTGESALOX5PPARGPPARA
SCHEMBL1436553 0.72 KMT2A (0.49) PDK2THRATHRBMEN1KMT2A
SCHEMBL1436992 0.71 LIMK1 (0.37) PDK2THRATHRBLIMK1PTPN7
SCHEMBL19649433 0.71 PDK2 (0.46) PDK2THRATHRBPTPN7DUSP3
SCHEMBL3219126 0.71 PDK2 (0.42) PDK2THRATHRBLIMK1PTPN7

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
WO-2009111501-A1 DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 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-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE MAVS, SARS1, HAVCR2 PDK2 2973/4885THRA 4757/4885THRB 4714/4885

“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.