SCHEMBL2878313

SCHEMBL2878313

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 5/20 0.34
HPGD P15428 3/20 0.34
GRIK2 Q13002 2/20 0.33
GRIK1 P39086 1/20 0.33
ESR1 P03372 2/20 0.33
CYP11B2 P19099 3/20 0.32
CYP11B1 P15538 2/20 0.32
MAOA P21397 1/20 0.32
MEN1 O00255 3/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPK1 P28482 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HTT P42858 1/20 0.32
HBB P68871 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP19A1 P11511 1/20 0.32
DYRK1A Q13627 1/20 0.32
MDM4 O15151 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
SCHEMBL2878311 0.85 AR (0.38) ALDH1A1KDM4EESR1MEN1MAPT
SCHEMBL2881665 0.85 HRH3 (0.36) ALDH1A1KDM4EHPGDGRIK2GRIK1
SCHEMBL10193331 0.85 KDM4E (0.40) ALDH1A1KDM4EHPGDGRIK2GRIK1
SCHEMBL2881906 0.83 KDM4E (0.41) ALDH1A1KDM4EHPGDGRIK2GRIK1
SCHEMBL12996795 0.82 CYP11B2 (0.47) ALDH1A1HPGDCYP11B2CYP11B1MAPT
SCHEMBL2878944 0.81 ESR1 (0.38) ALDH1A1KDM4EHPGDGRIK2GRIK1
SCHEMBL980710 0.81 GRIK2 (0.52) ALDH1A1KDM4EHPGDGRIK2GRIK1
SCHEMBL10095456 0.80 KIF11 (0.38) ALDH1A1KDM4EHPGDGRIK2GRIK1
SCHEMBL982919 0.80 TDP1 (0.41) ALDH1A1KDM4EHPGDGRIK2GRIK1
SCHEMBL10097273 0.79 KMT2A (0.39) ALDH1A1KDM4EHPGDKMT2AMAPK1

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 5 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-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
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 ALDH1A1 1497/4885KDM4E 4020/4885HPGD 3255/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885KDM4E 4020/4885HPGD 3255/4885

“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.