SCHEMBL2881398

SCHEMBL2881398

Nc1ccc(-c2cc3ccc(O)cc3n2C2CCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 3/20 0.40
GSK3B P49841 3/20 0.40
ROCK1 Q13464 3/20 0.40
RAD51 Q06609 1/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
APP P05067 3/20 0.35
GAA P10253 1/20 0.34
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
ABL2 P42684 1/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 1/20 0.33
PIK3CA P42336 1/20 0.32

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
SCHEMBL31438053 0.82 CYP11B2 (0.39) PRKACAGSK3BROCK1CYP11B1CYP11B2
SCHEMBL31438052 0.78 MAOA (0.38) PRKACAGSK3BROCK1CYP11B1CYP11B2
SCHEMBL38655004 0.76 CYP11B1 (0.36) PRKACAGSK3BROCK1CYP11B1CYP11B2
SCHEMBL31437988 0.76 CYP11B1 (0.39) PRKACAGSK3BROCK1CYP11B1CYP11B2
SCHEMBL14468152 0.75 PRKACA (0.39) PRKACAGSK3BROCK1ALDH1A1KDM4E
SCHEMBL4795395 0.75 HRH3 (0.39) PRKACAGSK3BROCK1RAD51CYP11B1
SCHEMBL12996919 0.75 HRH3 (0.45) PRKACAGSK3BROCK1RAD51CYP11B1
SCHEMBL14467980 0.75 PRKACA (0.37) PRKACAGSK3BROCK1RAD51ALDH1A1
SCHEMBL31437994 0.74 KDM4E (0.32) PRKACAGSK3BROCK1CYP11B1CYP11B2
SCHEMBL31438051 0.73 CYP11B1 (0.41) CYP11B1CYP11B2ALDH1A1KDM4EMAPT

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
CN-101605758-A Methods of treating hepatitis C PTC THERAPEUTICS INC (US) 2009-12-16 CN 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 PRKACA 1122/4885GSK3B 846/4885ROCK1 2535/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS PRKACA 1122/4885GSK3B 846/4885ROCK1 2535/4885

“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.