SCHEMBL4057442

SCHEMBL4057442

COC(=O)c1cnc(-c2ccc(OC)cc2C(F)(F)F)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.44
LIMK2 P53671 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDE10A Q9Y233 1/20 0.43
DYRK1A Q13627 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EPHX2 P34913 3/20 0.41
SCN9A Q15858 1/20 0.39
NOTUM Q6P988 1/20 0.39
EIF4E P06730 1/20 0.39
MAPK10 P53779 1/20 0.39
AKR1C3 P42330 2/20 0.38

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
SCHEMBL4056620 0.89 LIMK1 (0.45) LIMK1LIMK2KDM4EPDE10AEPHX2
SCHEMBL4056987 0.88 MAPK8 (0.39) LIMK1LIMK2KDM4EPDE10AALDH1A1
SCHEMBL24994336 0.82 LIMK1 (0.44) LIMK1LIMK2KDM4ECYP1A2CYP2D6
SCHEMBL22986362 0.81 KDM4E (0.47) LIMK1LIMK2KDM4ECYP1A2CYP2D6
SCHEMBL4059345 0.78 PDE10A (0.41) LIMK1LIMK2CYP1A2CYP2D6CYP2C9
SCHEMBL24994318 0.74 RXFP1 (0.54) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2723272 0.74 KDM4E (0.47) LIMK1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL24993381 0.72 SCN9A (0.43) LIMK1LIMK2KDM4EALDH1A1EPHX2
SCHEMBL4055657 0.72 LIMK1 (0.38) LIMK1LIMK2KDM4EALDH1A1HPGD
SCHEMBL15539723 0.72 GABRP (0.46)

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 2767/4885LIMK2 3232/4885KDM4E 3438/4885

“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.