SCHEMBL750326

SCHEMBL750326

CC1(C)C(=O)Nc2c[c]ccc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.55
PDK4 Q16654 2/20 0.55
ATAD2 Q6PL18 1/20 0.40
PGR P06401 11/20 0.39
PDE3B Q13370 4/20 0.37
PDE3A Q14432 4/20 0.37
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
PDK1 Q15118 1/20 0.35
PDK3 Q15120 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL750088 0.85 PDK2 (0.55) PDK2PDK4ATAD2PGRPDE3B
SCHEMBL4842759 0.77 PKLR (0.32)
SCHEMBL2330085 0.73
SCHEMBL4003292 0.73 RARB (0.42) PDK2PGR
SCHEMBL319934 0.71 PDK2 (1.00) PDK2PDK4PGRPDK1PDK3
SCHEMBL3072321 0.70 KDM4E (0.33) PDK2PDK4
SCHEMBL1450407 0.69 KDM4E (0.44) PDE3BPDE3A
SCHEMBL22686127 0.67 MARK3 (0.37) PDK2PDK4PGRPDE3BPDE3A
SCHEMBL7433946 0.67 PDK2 (0.57) PDK2PDK4ATAD2PGRPDE3B
SCHEMBL2407290 0.66

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150126517-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2015-05-07 US claimed
EP-2429295-B1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RES INC (US) 2013-12-25 EP claimed
US-20130237520-A1 IMIDAZOPYRAZINE SYK INHIBITORS GILEAD CONNECTICUT, INC. (US) 2013-09-12 US claimed
EP-2429295-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF Albany Molecular Research, Inc. (US) 2012-03-21 EP claimed
EP-2373169-A1 IMIDAZOPYRAZINE SYK INHIBITORS Gilead Connecticut, Inc. (US) 2011-10-12 EP claimed
WO-2010132437-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 WO claimed
US-20100292242-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 US claimed
US-20100222323-A1 IMIDAZOPYRAZINE SYK INHIBITORS Kronos Bio, Inc. 2010-09-02 US claimed
WO-2010068257-A1 IMIDAZOPYRAZINE SYK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-06-17 WO claimed
EP-1764358-A2 Cyclic amides as vanilloid receptor ligands and their use in treatments of inflammatory and neuropathic pain Amgen, Inc (US) 2007-03-21 EP claimed
US-20060030618-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-02-09 US claimed
US-20050272931-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-08 US claimed
EP-1463714-A4 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC (US) 2005-10-19 EP claimed
US-20050227986-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-10-13 US claimed
EP-1463714-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2004-10-06 EP claimed
US-20030195201-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2003-10-16 US claimed
WO-2003049702-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2003-06-19 WO claimed
US-20180086769-A1 IMIDAZOPYRAZINE SYK INHIBITORS Kronos Bio, Inc. 2018-03-29 US disclosed
US-20030195201-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2003-10-16 US disclosed
WO-2003049702-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2003-06-19 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 (9 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-20050272931-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PDK2 3751/4885PDK4 3526/4885ATAD2 2848/4885
US-20060030618-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PDK2 3751/4885PDK4 3526/4885ATAD2 2848/4885
US-20030195201-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PDK2 3969/4885PDK4 3702/4885ATAD2 3157/4885
US-20130237520-A1 IMIDAZOPYRAZINE SYK INHIBITORS SYK, BTK, ZAP70 PDK2 1667/4885PDK4 2899/4885ATAD2 3164/4885
US-20100292242-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF NLN, HTR3B, HTR2C PDK2 736/4885PDK4 587/4885ATAD2 990/4885
US-20050227986-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PDK2 3751/4885PDK4 3526/4885ATAD2 2848/4885
US-20150126517-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF NLN, HTR3B, HTR2C PDK2 736/4885PDK4 587/4885ATAD2 990/4885
US-20180086769-A1 IMIDAZOPYRAZINE SYK INHIBITORS SYK, BTK, ZAP70 PDK2 1667/4885PDK4 2899/4885ATAD2 3164/4885
US-20100222323-A1 IMIDAZOPYRAZINE SYK INHIBITORS SYK, BTK, ZAP70 PDK2 1667/4885PDK4 2899/4885ATAD2 3164/4885

“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.