SCHEMBL4057653

SCHEMBL4057653

COc1ccc(-c2ncc(CO)cn2)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.43
CRHR1 P34998 2/20 0.42
EPHX2 P34913 4/20 0.41
AR P10275 1/20 0.40
LIMK2 P53671 1/20 0.40
USP1 O94782 1/20 0.40
WDR48 Q8TAF3 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
NR1H2 P55055 3/20 0.39
NR1H3 Q13133 3/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
S1PR1 P21453 1/20 0.38
SRD5A2 P31213 1/20 0.37

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
SCHEMBL3198256 0.86 PDK2 (0.43) LIMK1NR1H2NR1H3SRD5A2
SCHEMBL4050597 0.80 EPHX2 (0.40) LIMK1CRHR1EPHX2LIMK2USP1
SCHEMBL4048764 0.78 AKR1C3 (0.43) LIMK1CRHR1EPHX2LIMK2CYP11B1
SCHEMBL16815294 0.78 CYP1A2 (0.47) LIMK1CRHR1EPHX2LIMK2USP1
SCHEMBL4059345 0.76 PDE10A (0.41) LIMK1CRHR1EPHX2LIMK2AKR1C3
SCHEMBL28814765 0.74 ALOX5AP (0.40) LIMK1CYP11B1CYP11B2
SCHEMBL16526159 0.74 CYP11B1 (0.60) LIMK1CRHR1EPHX2LIMK2CYP11B1
SCHEMBL4058564 0.74 CRHR1 (0.44) LIMK1CRHR1EPHX2LIMK2USP1
SCHEMBL3207802 0.73 PDK2 (0.40) LIMK1
SCHEMBL1992428 0.73 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 LIMK1 2767/4885CRHR1 4273/4885EPHX2 3193/4885

“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.