SCHEMBL12995201

SCHEMBL12995201

Cc1nc(-c2c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
NPY1R P25929 2/20 0.37
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRM5 P41594 1/20 0.34
HRH3 Q9Y5N1 3/20 0.33
P2RX3 P56373 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GFER P55789 1/20 0.33
PAX8 Q06710 1/20 0.33
KLF5 Q13887 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL12995321 0.96 GSK3B (0.41) GSK3BDYRK1ANPY1RNPC1RAB9A
SCHEMBL12995175 0.89 GRM5 (0.38) GSK3BDYRK1ANPY1RGRM5HRH3
SCHEMBL12995202 0.88 NPY1R (0.36) GSK3BDYRK1ANPY1RNPC1RAB9A
SCHEMBL12995472 0.88 GSK3B (0.41) GSK3BDYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL12995203 0.88 NPY1R (0.35) GSK3BDYRK1ANPY1RNPC1RAB9A
SCHEMBL10096105 0.88 RAB9A (0.39) GSK3BDYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL12995109 0.87 HRH3 (0.35) DYRK1ANPY1RNPC1RAB9ASMN1; SMN2
SCHEMBL12995163 0.87 NPY1R (0.36) GSK3BDYRK1ANPY1RNPC1RAB9A
SCHEMBL12995106 0.87 P2RX3 (0.37) DYRK1ANPY1RHRH3P2RX3MAPT
SCHEMBL12995164 0.87 GCK (0.37) GSK3BDYRK1ANPY1RNPC1RAB9A

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 GSK3B 846/4885DYRK1A 4875/4885NPY1R 4557/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS GSK3B 846/4885DYRK1A 4875/4885NPY1R 4557/4885

“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.