SCHEMBL12995295

SCHEMBL12995295

CC(OC(=O)Nc1ccc(-c2c(-c3cc[nH]n3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.35
HRH3 Q9Y5N1 8/20 0.34
S1PR3 Q99500 2/20 0.33
NPY1R P25929 1/20 0.33
LRRK2 Q5S007 1/20 0.33
GSK3B P49841 3/20 0.31
SYK P43405 2/20 0.31
CLK2 P49760 1/20 0.31
CLK3 P49761 1/20 0.31
RORC P51449 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
SCHEMBL12995163 0.96 NPY1R (0.36) DYRK1AHRH3S1PR3NPY1RLRRK2
SCHEMBL12995300 0.89 GCK (0.36) DYRK1AHRH3S1PR3NPY1RGSK3B
SCHEMBL12995294 0.89 HRH3 (0.34) DYRK1AHRH3S1PR3NPY1RLRRK2
SCHEMBL12995318 0.88 HRH3 (0.33) DYRK1AHRH3S1PR3NPY1RLRRK2
SCHEMBL13053606 0.88 HRH3 (0.36) DYRK1AHRH3S1PR3CLK2CLK3
SCHEMBL10097357 0.88 TTK (0.36)
SCHEMBL12995293 0.88 DYRK1A (0.34) DYRK1AHRH3S1PR3NPY1RLRRK2
SCHEMBL12995319 0.88 NPY1R (0.33) DYRK1AHRH3S1PR3NPY1RGSK3B
SCHEMBL12995317 0.88 HRH3 (0.33) DYRK1AHRH3S1PR3NPY1RLRRK2
SCHEMBL12995324 0.87 RORC (0.39) DYRK1AHRH3S1PR3RORC

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.