SCHEMBL2883700

SCHEMBL2883700

COc1ccc2cc(-c3ccc(N)cc3)n(C3CCC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 1/20 0.43
RPS6KB1 P23443 1/20 0.43
GSK3B P49841 1/20 0.43
ROCK1 Q13464 1/20 0.43
RAD51 Q06609 1/20 0.40
HTR6 P50406 1/20 0.40
APP P05067 2/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
FDFT1 P37268 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL4795395 0.86 HRH3 (0.39) PRKACARPS6KB1GSK3BROCK1RAD51
SCHEMBL12996919 0.84 HRH3 (0.45) PRKACARPS6KB1GSK3BROCK1RAD51
SCHEMBL2886381 0.82 APP (0.41) APPALDH1A1LMNAKMT2AMAPT
SCHEMBL2881398 0.81 PRKACA (0.40) PRKACARPS6KB1GSK3BROCK1RAD51
SCHEMBL31438053 0.79 CYP11B2 (0.39) PRKACAGSK3BROCK1APPCYP11B1
SCHEMBL14466152 0.78 PRKACA (0.41) PRKACARPS6KB1GSK3BROCK1RAD51
SCHEMBL31437988 0.73 CYP11B1 (0.39) PRKACAGSK3BROCK1CYP11B1CYP11B2
SCHEMBL38655004 0.73 CYP11B1 (0.36) PRKACAGSK3BROCK1CYP11B1CYP11B2
SCHEMBL2883598 0.73 KDM4E (0.43) PRKACARPS6KB1GSK3BROCK1HTR6
SCHEMBL31438052 0.70 MAOA (0.38) PRKACAGSK3BROCK1CYP11B1CYP11B2

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 10 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
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 PRKACA 1122/4885RPS6KB1 675/4885GSK3B 846/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS PRKACA 1122/4885RPS6KB1 675/4885GSK3B 846/4885

“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.