SCHEMBL4059345

SCHEMBL4059345

COc1ccc(-c2cnc(CO)cn2)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
LIMK1 P53667 3/20 0.41
CRHR1 P34998 2/20 0.39
LIMK2 P53671 1/20 0.39
EPHX2 P34913 3/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
EIF4E P06730 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
SCN9A Q15858 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4056368 0.86 PDK2 (0.41) PDE10ALIMK1ALOX5APFEN1SCN9A
SCHEMBL4055657 0.81 LIMK1 (0.38) LIMK1CRHR1LIMK2EPHX2ALOX5AP
SCHEMBL4056620 0.79 LIMK1 (0.45) PDE10ALIMK1LIMK2EPHX2AKR1C3
SCHEMBL4057442 0.78 LIMK1 (0.44) PDE10ALIMK1CRHR1LIMK2EPHX2
SCHEMBL4048764 0.76 AKR1C3 (0.43) LIMK1CRHR1LIMK2EPHX2AKR1C3
SCHEMBL4057653 0.76 LIMK1 (0.43) LIMK1CRHR1LIMK2EPHX2AKR1C3
SCHEMBL16815294 0.76 CYP1A2 (0.47) LIMK1CRHR1LIMK2EPHX2AKR1C3
SCHEMBL2599118 0.72 LIMK1 (0.41) LIMK1CRHR1LIMK2EPHX2AKR1C3
SCHEMBL16526159 0.72 CYP11B1 (0.60) LIMK1CRHR1LIMK2EPHX2CYP1A2
SCHEMBL1992428 0.71 EPHX2 (0.58) EPHX2

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 PDE10A 1879/4885LIMK1 2767/4885CRHR1 4273/4885

“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.