SCHEMBL3661731

SCHEMBL3661731

C=Cc1cnc(NC(C)=O)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 2/20 0.36
PTPRB P23467 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 3/20 0.35
PARP1 P09874 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CDK1 P06493 2/20 0.33
CDK4 P11802 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33

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
SCHEMBL9646715 0.84 ALDH1A1 (0.46) L3MBTL1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL7975589 0.80 P4HTM (0.45) HPGDPTPRBHSD17B10ALDH1A1NPC1
SCHEMBL7975592 0.80 P4HTM (0.45) HPGDPTPRBHSD17B10ALDH1A1NPC1
SCHEMBL9648980 0.79 HPGD (0.42) L3MBTL1HPGDALDH1A1PARP1POLB
SCHEMBL6984523 0.78 L3MBTL1 (0.42) L3MBTL1HPGDPTPRBHSD17B10ALDH1A1
SCHEMBL19736372 0.75 AGBL2 (0.47) L3MBTL1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL7091354 0.75 L3MBTL1 (0.40) L3MBTL1HPGDPTPRBHSD17B10ALDH1A1
SCHEMBL760353 0.75 NPC1 (0.48) L3MBTL1ALDH1A1MEN1KMT2APOLB
SCHEMBL10141638 0.72 L3MBTL1 (0.38) L3MBTL1HPGDPTPRBHSD17B10ALDH1A1
SCHEMBL29952439 0.72 L3MBTL1 (0.38) L3MBTL1HPGDPTPRBHSD17B10ALDH1A1

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 L3MBTL1 3804/4885HPGD 1104/4885PTPRB 1700/4885
US-20130131054-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A L3MBTL1 3804/4885HPGD 1104/4885PTPRB 1700/4885
US-20130203746-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A L3MBTL1 3804/4885HPGD 1104/4885PTPRB 1700/4885
US-20130190304-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A L3MBTL1 3804/4885HPGD 1104/4885PTPRB 1700/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A L3MBTL1 3804/4885HPGD 1104/4885PTPRB 1700/4885
US-20140194414-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A L3MBTL1 3804/4885HPGD 1104/4885PTPRB 1700/4885

“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.