SCHEMBL2885185

SCHEMBL2885185

CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCOC)cc3n2C2CCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDGFRB P09619 1/20 0.39
PDE7A Q13946 1/20 0.38
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
KCNQ2 O43526 1/20 0.35
MTNR1B P49286 2/20 0.35
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
CRHBP P24387 1/20 0.34
RAB9A P51151 1/20 0.34
CRHR2 Q13324 1/20 0.34
KDR P35968 1/20 0.34
LMNA P02545 3/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL13198744 0.97 ALDH1A1 (0.40) ALDH1A1MEN1POLBMAPK1KMT2A
SCHEMBL10096650 0.94 PDGFRB (0.38) ALDH1A1MEN1POLBMAPK1KMT2A
SCHEMBL10096264 0.94 MEN1 (0.38) ALDH1A1MEN1POLBMAPK1KMT2A
SCHEMBL13198730 0.94 PDGFRB (0.41) ALDH1A1MEN1POLBMAPK1KMT2A
SCHEMBL13198734 0.93 PDGFRB (0.41) ALDH1A1MEN1POLBMAPK1KMT2A
SCHEMBL10096261 0.93 ALDH1A1 (0.43) ALDH1A1MEN1POLBMAPK1KMT2A
SCHEMBL10096363 0.92 MTNR1B (0.42) ALDH1A1MEN1POLBMAPK1KMT2A
SCHEMBL2878945 0.92 EGLN2 (0.37) ALDH1A1MEN1POLBMAPK1KMT2A
SCHEMBL10096412 0.91 ALDH1A1 (0.45) ALDH1A1MEN1POLBMAPK1KMT2A
SCHEMBL10096656 0.90 HTR3A (0.39) PDGFRBNPC1RAB9ALMNAMAPT

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 14 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-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 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-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
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
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 (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 ALDH1A1 1497/4885MEN1 4800/4885POLB 2591/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885MEN1 4800/4885POLB 2591/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP ALDH1A1 1067/4885MEN1 4860/4885POLB 2388/4885

“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.