SCHEMBL2881904

SCHEMBL2881904

CCn1c(-c2ccc(C(N)=O)cc2)c(C#N)c2ccc(O)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 2/20 0.37
JAK3 P52333 2/20 0.37
PRF1 P14222 1/20 0.37
NSD2 O96028 1/20 0.36
MYC P01106 3/20 0.36
ESR1 P03372 3/20 0.36
PDE5A O76074 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL10097273 0.86 KMT2A (0.39) KDM4EKMT2AALDH1A1JAK2JAK1
SCHEMBL2881906 0.86 KDM4E (0.41) KDM4EKMT2AALDH1A1MEN1LMNA
SCHEMBL2878311 0.86 AR (0.38) KDM4EKMT2AALDH1A1MEN1LMNA
SCHEMBL2881153 0.86 GRIK2 (0.47) KDM4EKMT2AALDH1A1MEN1LMNA
SCHEMBL10097274 0.85 ALDH1A1 (0.49) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL2876698 0.85 PARP10 (0.47) KDM4EKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL10095332 0.84 GRIA4 (0.40) KDM4EKMT2AALDH1A1LMNAGAA
SCHEMBL10095303 0.84 JAK2 (0.44) KDM4EKMT2AALDH1A1MAPTJAK2
SCHEMBL10097250 0.83 KDM4E (0.41) KDM4EKMT2AALDH1A1MEN1LMNA
SCHEMBL10097251 0.83 ALDH1A1 (0.49) KDM4EKMT2AALDH1A1MEN1LMNA

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-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
EP-1979315-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-15 EP disclosed
US-20070299069-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-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
US-20060189606-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2006-08-24 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 (5 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 4020/4885KMT2A 4464/4885ALDH1A1 1497/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS KDM4E 4020/4885KMT2A 4464/4885ALDH1A1 1497/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS KDM4E 4020/4885KMT2A 4464/4885ALDH1A1 1497/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS KDM4E 4020/4885KMT2A 4464/4885ALDH1A1 1497/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS KDM4E 4020/4885KMT2A 4464/4885ALDH1A1 1497/4885

“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.