SCHEMBL2881906

SCHEMBL2881906

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
ESR1 P03372 4/20 0.38
ESR2 Q92731 2/20 0.38
HPGD P15428 3/20 0.36
AR P10275 2/20 0.36
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL10095946 0.90 ESR1 (0.46) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL10097250 0.88 KDM4E (0.41) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL10193331 0.87 KDM4E (0.40) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL10097251 0.87 ALDH1A1 (0.49) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL10095582 0.87 ALDH1A1 (0.41) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL2881904 0.86 KDM4E (0.38) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL10097258 0.85 GRIK2 (0.52) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL10193442 0.85 ESR1 (0.42) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL10097261 0.84 AR (0.40) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL10097273 0.83 KMT2A (0.39) KDM4EALDH1A1KMT2AHPGDMAPK1

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 4020/4885ALDH1A1 1497/4885MEN1 4800/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS KDM4E 4020/4885ALDH1A1 1497/4885MEN1 4800/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS KDM4E 4020/4885ALDH1A1 1497/4885MEN1 4800/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS KDM4E 4020/4885ALDH1A1 1497/4885MEN1 4800/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS KDM4E 4020/4885ALDH1A1 1497/4885MEN1 4800/4885

“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.