SCHEMBL2883598

SCHEMBL2883598

COc1ccc2c(C#N)c(-c3ccc(N)cc3)n(C3CCC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
MAPT P10636 4/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
PABPC1 P11940 1/20 0.43
CASP3 P42574 1/20 0.43
KMT2A Q03164 1/20 0.43
NCOA1 Q15788 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
GSK3B P49841 1/20 0.38
ROCK1 Q13464 1/20 0.38
CYP11B2 P19099 1/20 0.37
ALDH1A1 P00352 5/20 0.36

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
SCHEMBL982546 0.95 MAPT (0.44) KDM4EMAPTMAPK1HTTTDP1
SCHEMBL982506 0.89 TSHR (0.36) KDM4EMAPTMAPK1HTTTDP1
SCHEMBL2881706 0.89 HRH3 (0.36) KDM4EMAPTMAPK1HTTTDP1
SCHEMBL10095958 0.87 CYP11B2 (0.41) KDM4EMAPTMAPK1HTTTDP1
SCHEMBL2881700 0.86 ESR1 (0.36) KDM4EMAPTMAPK1HTTTDP1
SCHEMBL12107216 0.86 CYP11B2 (0.39) KDM4EMAPTMAPK1HTTTDP1
SCHEMBL2883009 0.86 MEN1 (0.33) KDM4EMAPTMAPK1HTTTDP1
SCHEMBL12996869 0.86 CYP11B2 (0.32) KDM4EMAPTMAPK1HTTTDP1
SCHEMBL2884796 0.86 HRH3 (0.37) CYP11B2HRH3
SCHEMBL12996931 0.86 HRH3 (0.41) KDM4EMAPTMAPK1HTTTDP1

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 9 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-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-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
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 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 (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 KDM4E 4020/4885MAPT 4477/4885MAPK1 4248/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS KDM4E 4020/4885MAPT 4477/4885MAPK1 4248/4885

“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.