SCHEMBL3716346

SCHEMBL3716346

C=Cc1cnc2c(ccn2C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.40
CYP2A6 P11509 2/20 0.38
PIK3CB P42338 1/20 0.38
PARP1 P09874 1/20 0.37
CHRNA7 P36544 3/20 0.35
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
EGFR P00533 5/20 0.32
PDE1B Q01064 1/20 0.32
HTR7 P34969 1/20 0.32
CDK1 P06493 1/20 0.32
CDK5 Q00535 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32

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
SCHEMBL6952609 0.83 CYP2A6 (0.53) APPCYP2A6PIK3CBCHRNA7CACNA1G
SCHEMBL29935942 0.83 CYP2A6 (0.53) APPCYP2A6PIK3CBCHRNA7CACNA1G
Cyanide SCHEMBL22130245 0.75 APP (0.36) APPCYP2A6PIK3CBCHRNA7CACNA1G
SCHEMBL46327 0.74 CCR1 (0.47) APPPIK3CBPARP1CHRNA7CACNA1G
SCHEMBL13837838 0.74 APP (0.38) APPPARP1CACNA1HEGFRPDE1B
SCHEMBL12524710 0.74 CHRNA7 (0.41) APPCYP2A6PIK3CBPARP1CHRNA7
SCHEMBL5314656 0.73 APP (0.34) APPCYP2A6PIK3CBCHRNA7CACNA1G
SCHEMBL14883466 0.73 APP (0.46) APPPIK3CBCHRNA7CACNA1GCACNA1H
SCHEMBL3481120 0.73 PIK3CB (0.49) APPPIK3CBCHRNA7CACNA1GCACNA1H
SCHEMBL1269052 0.73 APP (0.43) APPPIK3CBCHRNA7CACNA1GCACNA1H

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-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 APP 582/4885CYP2A6 1715/4885PIK3CB 682/4885
US-20130131054-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A APP 582/4885CYP2A6 1715/4885PIK3CB 682/4885
US-20130203746-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A APP 582/4885CYP2A6 1715/4885PIK3CB 682/4885
US-20130190304-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A APP 582/4885CYP2A6 1715/4885PIK3CB 682/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A APP 582/4885CYP2A6 1715/4885PIK3CB 682/4885
US-20140194414-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A APP 582/4885CYP2A6 1715/4885PIK3CB 682/4885

“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.