SCHEMBL6331111

SCHEMBL6331111

Fc1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.54
KEAP1 Q14145 1/20 0.54
APP P05067 1/20 0.51
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.44
CDK2 P24941 2/20 0.43
CRHBP P24387 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
CRHR2 Q13324 1/20 0.41
GAK O14976 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
FLT3 P36888 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MARK1 Q9P0L2 1/20 0.40
STK17A Q9UEE5 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 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
SCHEMBL13024368 0.85 TNIK (0.47) RAB9AKDM4EMAPK1ATMNPC1
SCHEMBL5352040 0.84 SMN1; SMN2 (0.56) AXLKEAP1APPRAB9AKDM4E
SCHEMBL3472227 0.84 MEN1 (0.56) AXLKEAP1RAB9AKDM4ECDK2
SCHEMBL22353107 0.84 ALDH1A1 (0.44) AXLKEAP1RAB9ACDK2MKNK2
SCHEMBL22327729 0.84 AXL (0.57) AXLKEAP1APPRAB9ACDK2
SCHEMBL14624000 0.83 RAB9A (0.55) RAB9AKDM4ENPC1POLBSMN1; SMN2
SCHEMBL4744555 0.81 KIF11 (0.44) RAB9AGCGRMAPK14POLB
SCHEMBL18287243 0.81 KDM4E (0.46) AXLKEAP1RAB9AKDM4ECRHBP
SCHEMBL9051628 0.81 ALDH1A1 (0.61) AXLKEAP1RAB9AKDM4EMEN1
SCHEMBL2870717 0.81 IDO1 (0.46) RAB9AMAPK1MEN1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 US disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
CN-100542534-C Substituted piperazines CHEMOCENTRYX INC (US) 2009-09-23 CN disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
CN-1913898-A Substituted piperazines CHEMOCENTRYX INC (US) 2007-02-14 CN disclosed
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof PFIZER INC 2005-04-07 US disclosed
US-6706743-B2 β3 adrenergic receptor agonists and uses thereof PFIZER INC 2004-03-16 US disclosed
US-20030203913-A1 Beta3 adrenergic receptor agonists and uses thereof PFIZER INC. 2003-10-30 US disclosed
EP-1326861-A1 ALPHA-ARYL ETHANOLAMINES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS Pfizer Products Inc. (US) 2003-07-16 EP disclosed
US-6566377-B2 β3 adrenergic receptor agonists and uses thereof PFIZER INC. 2003-05-20 US disclosed
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof DAY ROBERT F (US) 2002-05-02 US disclosed
WO-2002032897-A1 ALPHA-ARYL ETHANOLAMINES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2002-04-25 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 (4 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-20030203913-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 AXL 455/4885KEAP1 2903/4885APP 938/4885
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 AXL 439/4885KEAP1 3150/4885APP 835/4885
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof ADRB3, ADRA1A, ADRB1 AXL 631/4885KEAP1 2800/4885APP 1247/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 AXL 3673/4885KEAP1 417/4885APP 4579/4885

“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.