SCHEMBL12995293

SCHEMBL12995293

Cc1c[nH]nc1-c1c(-c2ccc(NC(=O)OC(C)C3CC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.34
HRH3 Q9Y5N1 7/20 0.34
S1PR3 Q99500 2/20 0.32
NPY1R P25929 1/20 0.32
GSK3B P49841 5/20 0.32
LRRK2 Q5S007 1/20 0.32
RORC P51449 1/20 0.31
CLK2 P49760 1/20 0.31
CLK3 P49761 1/20 0.31
ROCK2 O75116 1/20 0.31
NAMPT P43490 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL12995162 0.96 NPY1R (0.35) DYRK1AHRH3S1PR3NPY1RGSK3B
SCHEMBL12995298 0.89 S1PR3 (0.35) DYRK1AHRH3S1PR3NPY1RGSK3B
SCHEMBL10097327 0.88 TTK (0.37)
SCHEMBL12995295 0.88 DYRK1A (0.35) DYRK1AHRH3S1PR3NPY1RGSK3B
SCHEMBL12995446 0.87 EPHX2 (0.37) HRH3
SCHEMBL13053606 0.87 HRH3 (0.36) DYRK1AHRH3S1PR3RORCCLK2
SCHEMBL12995296 0.86 HRH3 (0.34) DYRK1AHRH3S1PR3NPY1RGSK3B
SCHEMBL12995260 0.86 HRH3 (0.38) DYRK1AHRH3S1PR3BRD4
SCHEMBL12995300 0.86 GCK (0.36) DYRK1AHRH3S1PR3NPY1RGSK3B
SCHEMBL12995281 0.86 P2RX3 (0.36) DYRK1AHRH3S1PR3NPY1RBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO 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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS DYRK1A 4875/4885HRH3 3336/4885S1PR3 1968/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS DYRK1A 4875/4885HRH3 3336/4885S1PR3 1968/4885

“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.