SCHEMBL2881665

SCHEMBL2881665

CCN(CC)Cc1ccc2c(C#N)c(-c3ccc(N)cc3)n(CC)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.36
PRKACA P17612 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34
ICMT O60725 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 3/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GRK6 P43250 1/20 0.32
PRKCI P41743 1/20 0.32
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
ACHE P22303 1/20 0.32
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
DYRK1A Q13627 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL2881662 0.86 PARP1 (0.38) HRH3KDM4EALDH1A1HPGDACHE
SCHEMBL2878313 0.85 ALDH1A1 (0.34) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL14467904 0.85 HRH3 (0.41) HRH3KDM4EALDH1A1HPGDMAPT
SCHEMBL10096619 0.83 CYP11B2 (0.43) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL13198729 0.83 ICMT (0.32) HRH3ICMT
SCHEMBL10193331 0.82 KDM4E (0.40) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL2881906 0.80 KDM4E (0.41) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL980710 0.78 GRIK2 (0.52) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL10095456 0.77 KIF11 (0.38) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL982919 0.77 TDP1 (0.41) KDM4EALDH1A1HPGDMAPTLMNA

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 3 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
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 3336/4885PRKACA 1122/4885PRKACG 1646/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS HRH3 3336/4885PRKACA 1122/4885PRKACG 1646/4885

“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.