SCHEMBL10096609

SCHEMBL10096609

CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(N3CCN(C)CC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.42
MAPK14 Q16539 3/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AURKA O14965 3/20 0.39
RIPK1 Q13546 2/20 0.39
AURKB Q96GD4 2/20 0.39
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
BRD4 O60885 1/20 0.39
BTK Q06187 2/20 0.37
BMPR1B O00238 1/20 0.37
PLK4 O00444 1/20 0.37
STK25 O00506 1/20 0.37
RIOK3 O14730 1/20 0.37

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
SCHEMBL2879068 0.90 AURKA (0.46) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL13051738 0.87 ABL1 (0.44) ABL1MAPK14ALDH1A1KMT2AAURKA
SCHEMBL10096607 0.86 GAA (0.40) ABL1ALDH1A1MEN1MAPTHPGD
SCHEMBL12107157 0.85 HTT (0.45) ABL1ALDH1A1MEN1KMT2A
SCHEMBL979558 0.85 NPSR1 (0.38) ABL1MEN1KMT2AJAK1AAK1
SCHEMBL10096243 0.84 KCNA5 (0.43) ALDH1A1KDM4EMAPTAURKAAURKB
SCHEMBL10095321 0.82 MTNR1A (0.47) ALDH1A1KDM4EMEN1MAPTHPGD
SCHEMBL10095997 0.81 RORC (0.46) ALDH1A1KDM4EMEN1MAPTHPGD
SCHEMBL10095608 0.81 EPHX2 (0.41) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL980476 0.81 LMNA (0.46) ABL1ALDH1A1MEN1MAPTKMT2A

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-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 ABL1 770/4885MAPK14 4249/4885ALDH1A1 1497/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ABL1 770/4885MAPK14 4249/4885ALDH1A1 1497/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP ABL1 377/4885MAPK14 3075/4885ALDH1A1 1067/4885

“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.