SCHEMBL10096243

SCHEMBL10096243

CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OCCN3CCN(C)CC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.43
ESR1 P03372 3/20 0.42
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
JAK1 P23458 1/20 0.39
ESR2 Q92731 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
FLT3 P36888 2/20 0.37
PDGFRB P09619 1/20 0.37
EPHX2 P34913 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
AVPR1B P47901 1/20 0.37
NTRK1 P04629 1/20 0.36

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
SCHEMBL10096742 0.97 ESR1 (0.43) KCNA5ESR1PIK3CAMTORJAK1
SCHEMBL10096664 0.95 KCNA5 (0.44) KCNA5ESR1JAK1ESR2PDGFRB
SCHEMBL10096330 0.94 ESR1 (0.47) KCNA5ESR1PIK3CAMTORJAK1
SCHEMBL10096375 0.92 ESR1 (0.41) KCNA5ESR1PIK3CAMTORJAK1
SCHEMBL10096315 0.92 JAK1 (0.48) KCNA5ESR1JAK1AURKBFLT3
SCHEMBL981877 0.89 KIT (0.39) ESR1ALDH1A1LMNAMAPT
SCHEMBL10097417 0.88 PIK3CA (0.42) KCNA5ESR1PIK3CAMTORJAK1
SCHEMBL10095715 0.88 PFKFB3 (0.42) ESR1ALDH1A1LMNAMAPT
SCHEMBL980476 0.88 LMNA (0.46) JAK1ALDH1A1LMNAMAPT
SCHEMBL10096386 0.88 KIT (0.38) KCNA5ESR1JAK1LMNAMAPT

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 10 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 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-20070299069-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 (4 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS KCNA5 4454/4885ESR1 2188/4885PIK3CA 2171/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS KCNA5 4596/4885ESR1 2062/4885PIK3CA 3705/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS KCNA5 4596/4885ESR1 2062/4885PIK3CA 3705/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP KCNA5 4880/4885ESR1 4319/4885PIK3CA 3367/4885

“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.