SCHEMBL3660964

SCHEMBL3660964

C=Cc1ccc(NC(C)=O)nc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.57
GAA P10253 2/20 0.51
CYP1A2 P05177 1/20 0.51
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NSD2 O96028 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
LMNA P02545 1/20 0.40

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
SCHEMBL29882896 0.84 PTK2 (0.59) PTK2GAACYP1A2KMT2ATDP1
SCHEMBL3301252 0.84 PTK2 (0.59) PTK2GAACYP1A2KMT2ATDP1
SCHEMBL5689275 0.83 NPC1 (0.41) PTK2KMT2ATDP1RAB9ANPC1
SCHEMBL21678138 0.83 NPC1 (0.43) PTK2TDP1RAB9ANPC1MAPT
SCHEMBL2035206 0.82 KDR (0.44) PTK2CYP1A2TDP1RAB9ANPC1
SCHEMBL9769174 0.82 ALDH1A1 (0.49) RAB9ANPC1MAPTL3MBTL1KDM4E
SCHEMBL8019000 0.79 PTK2 (0.53) PTK2GAACYP1A2KMT2ATDP1
SCHEMBL4391108 0.79 GCK (0.57) PTK2GAACYP1A2RAB9ANPC1
SCHEMBL4391105 0.79 GCK (0.57) PTK2GAACYP1A2RAB9ANPC1
SCHEMBL9000490 0.79 PTK2 (0.53) PTK2GAACYP1A2KMT2ATDP1

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 29 patents — showing the first 20. 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
WO-2013037755-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-03-21 WO disclosed
US-6124457-A Process and intermediates for a β3 -adrenergic receptor agonist PFIZER INC. (US) 2000-09-26 US disclosed
US-6090942-A Process and intermediates for a β3 -adrenergic receptor agonist PFIZER INC. (US) 2000-07-18 US disclosed
CN-1256276-A Intermediate of beta 3-adrenalin energy receptor protagonist and its synthesis method PFIZER PRODUCTS CO (US) 2000-06-14 CN disclosed
EP-0994105-A2 2-amino-pyridine intermediates for beta3-Adrenergic receptor agonists Pfizer Products Inc. (US) 2000-04-19 EP disclosed
US-6001856-A β-adrenergic agonists to reduce a wasting condition PFIZER INC. (US) 1999-12-14 US disclosed
CN-1237160-A Process for preparing substituted pyridines PFIZER (US) 1999-12-01 CN disclosed
EP-0938476-A1 PROCESS FOR SUBSTITUTED PYRIDINES PFIZER INC. (US) 1999-09-01 EP disclosed
EP-0920864-A1 Combination therapy including a specific beta-3 agonist and an anorectic agent Pfizer Products Inc. (US) 1999-06-09 EP disclosed
EP-0887079-A1 Beta-Adrenergic agonists to reduce a wasting condition PFIZER INC. (US) 1998-12-30 EP disclosed
WO-1998021184-A1 PROCESS FOR SUBSTITUTED PYRIDINES PFIZER INC. (US) 1998-05-22 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 (5 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 PTK2 1850/4885GAA 2626/4885CYP1A2 2499/4885
US-20130131054-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A PTK2 1850/4885GAA 2626/4885CYP1A2 2499/4885
US-20130203746-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A PTK2 1850/4885GAA 2626/4885CYP1A2 2499/4885
US-20130190304-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A PTK2 1850/4885GAA 2626/4885CYP1A2 2499/4885
US-20140194414-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A PTK2 1850/4885GAA 2626/4885CYP1A2 2499/4885

“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.