SCHEMBL2884796

SCHEMBL2884796

N#Cc1c(-c2ccc(N)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.37
CYP11B2 P19099 1/20 0.36
CHEK1 O14757 1/20 0.34
PDE9A O76083 1/20 0.34
TBK1 Q9UHD2 6/20 0.33
GRM2 Q14416 2/20 0.33
LCK P06239 1/20 0.31
KDR P35968 1/20 0.31
TEK Q02763 1/20 0.31
PRKCZ Q05513 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
SCHEMBL12106042 0.91 HRH3 (0.37) HRH3CYP11B2CHEK1PDE9ATBK1
SCHEMBL10096695 0.90 CYP11B2 (0.36) HRH3CYP11B2CHEK1
SCHEMBL12996244 0.87 CYP11B2 (0.37) HRH3CYP11B2CHEK1PDE9ATBK1
SCHEMBL12996194 0.87 HRH3 (0.39) HRH3CYP11B2TBK1
SCHEMBL14467711 0.87 HRH3 (0.40) HRH3CHEK1TBK1LCKKDR
SCHEMBL13214836 0.87 HRH3 (0.40) HRH3PRKCZ
SCHEMBL12996201 0.86 TBK1 (0.44) HRH3TBK1
SCHEMBL14467934 0.86 HRH3 (0.35) HRH3PRKCZ
SCHEMBL12996174 0.86 IDH1 (0.43) HRH3CYP11B2TBK1GRM2
SCHEMBL2883598 0.86 KDM4E (0.43) HRH3CYP11B2

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 HRH3 3336/4885CYP11B2 1863/4885CHEK1 4747/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS HRH3 3336/4885CYP11B2 1863/4885CHEK1 4747/4885

“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.