SCHEMBL2881706

SCHEMBL2881706

COCCOc1ccc2c(C#N)c(-c3ccc(N)cc3)n(C3CCC3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.36
BACE1 P56817 1/20 0.35
HRH2 P25021 2/20 0.34
HRH1 P35367 2/20 0.34
ESR1 P03372 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PABPC1 P11940 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP3 P42574 1/20 0.34
HTT P42858 1/20 0.34
NCOA1 Q15788 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL2884180 0.96 CYP11B2 (0.37) HRH3HRH2HRH1ESR1KDM4E
SCHEMBL2881700 0.90 ESR1 (0.36) HRH3HRH2HRH1ESR1KDM4E
SCHEMBL982506 0.89 TSHR (0.36) KDM4EMEN1KMT2ALMNAMAPT
SCHEMBL2883598 0.89 KDM4E (0.43) HRH3KDM4EMEN1KMT2ALMNA
SCHEMBL2884321 0.88 CHEK2 (0.43) HRH3KDM4EMEN1KMT2AALDH1A1
SCHEMBL13198856 0.87 HRH3 (0.34) HRH3HRH2HRH1ESR1KDM4E
SCHEMBL13051524 0.87 HRH3 (0.38) HRH3BACE1IGF1RPRKCZPIK3CA
SCHEMBL4771985 0.86 CYP11B2 (0.38) HRH3HRH2HRH1ESR1KDM4E
SCHEMBL2883009 0.86 MEN1 (0.33) HRH3KDM4EMEN1KMT2ALMNA
SCHEMBL13198734 0.86 PDGFRB (0.41) MEN1KMT2AMAPK1TDP1L3MBTL1

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 12 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
EP-1984332-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-29 EP 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
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 HRH3 3336/4885BACE1 4118/4885HRH2 1760/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS HRH3 3336/4885BACE1 4118/4885HRH2 1760/4885

“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.