SCHEMBL3663643

SCHEMBL3663643

C=Cc1cnccc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.36
ERN1 O75460 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
KIF11 P52732 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP17A1 P05093 1/20 0.33
IMPDH2 P12268 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
LMNA P02545 1/20 0.31
AURKA O14965 1/20 0.31
KDR P35968 1/20 0.31
AXL P30530 1/20 0.31

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
SCHEMBL11085706 0.84 ERN1 (0.35) NFE2L2ERN1NPC1POLBALDH1A1
SCHEMBL25398893 0.80 NFE2L2 (0.39) NFE2L2ERN1NPC1POLBALDH1A1
SCHEMBL844273 0.80 ERN1 (0.48) NFE2L2ERN1NPC1POLBALDH1A1
SCHEMBL30149259 0.80 ERN1 (0.48) NFE2L2ERN1NPC1POLBALDH1A1
SCHEMBL16446421 0.77 NFE2L2 (0.40) NFE2L2ERN1NPC1POLBALDH1A1
SCHEMBL29988644 0.75 NFE2L2 (0.40) NFE2L2ERN1NPC1POLBALDH1A1
SCHEMBL14985274 0.73 IMPDH2 (0.42) ERN1ALDH1A1GAAIMPDH2LMNA
SCHEMBL20772453 0.73 KIF11 (0.41) NPC1POLBALDH1A1GAAKIF11
SCHEMBL14686341 0.73 NFE2L2 (0.46) NFE2L2ERN1NPC1POLBALDH1A1
SCHEMBL1311354 0.72 KIF11 (0.41) NPC1POLBALDH1A1GAAKIF11

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106188043-A Tetracyclic compound 梅迪维新技术公司 2016-12-07 CN disclosed
US-9181240-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-10 US disclosed
US-9096591-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-04 US disclosed
US-20150182509-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. 2015-07-02 US disclosed
US-9034880-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-8999978-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-07 US disclosed
US-20140194414-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-10 US disclosed
US-20130203746-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES INC. 2013-08-08 US disclosed
US-20130190304-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130131054-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-8338408-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 US disclosed
CN-101952284-A Novel tetracyclic compounds MEDIVATION TECHNOLOGIES INC 2011-01-19 CN disclosed
EP-2217598-A1 NEW TETRACYCLIC COMPOUNDS Medivation Technologies, Inc. (US) 2010-08-18 EP disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 US disclosed
WO-2009055828-A1 NEW TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2009-04-30 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 (6 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-20150182509-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A NFE2L2 2539/4885ERN1 3935/4885NPC1 3798/4885
US-20130131054-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A NFE2L2 2539/4885ERN1 3935/4885NPC1 3798/4885
US-20130203746-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A NFE2L2 2539/4885ERN1 3935/4885NPC1 3798/4885
US-20130190304-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A NFE2L2 2539/4885ERN1 3935/4885NPC1 3798/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A NFE2L2 2539/4885ERN1 3935/4885NPC1 3798/4885
US-20140194414-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A NFE2L2 2539/4885ERN1 3935/4885NPC1 3798/4885

“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.