SCHEMBL2867210

SCHEMBL2867210

CSc1cc(-c2ccc(F)cc2)n[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.53
KEAP1 Q14145 1/20 0.53
CA12 O43570 1/20 0.50
ALPL P05186 1/20 0.50
RPA1 P27694 1/20 0.50
CRHBP P24387 1/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
CRHR2 Q13324 1/20 0.47
MEN1 O00255 3/20 0.47
NPC1 O15118 3/20 0.47
KMT2A Q03164 3/20 0.47
ALOX15 P16050 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 2/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
RET P07949 1/20 0.43
KDR P35968 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL31371407 0.84 ALPL (0.51) ALPLMEN1NPC1KMT2AALOX15
SCHEMBL31371362 0.82 TRPM8 (0.53) CA12ALPLMAPK1MEN1NPC1
SCHEMBL2374927 0.81 L3MBTL1 (0.58) ALOX15RAB9ARETL3MBTL1
SCHEMBL31371239 0.81 NPC1 (0.51) CRHBPMAPK1ATMCRHR2MEN1
SCHEMBL31371340 0.79 RAB9A (0.63) ALPLMAPK1MEN1NPC1KMT2A
SCHEMBL16128887 0.79 ALPL (0.55) CA12ALPLMEN1NPC1KMT2A
SCHEMBL9531057 0.78 ALPL (0.40) AXLKEAP1ALPLMAPK1MEN1
SCHEMBL8490480 0.77 AXL (0.64) AXLKEAP1MAPK1MEN1NPC1
SCHEMBL3367903 0.76 L3MBTL1 (0.44) ALPLMAPK1MEN1NPC1KMT2A
SCHEMBL2360295 0.76 NPC1 (0.67) AXLKEAP1CA12ALPLRPA1

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-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-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
EP-1531822-B1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX INC (US) 2009-08-05 EP disclosed
EP-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 EP disclosed
US-7449576-B1 potent antagonists of the CCR1 receptor; inflammation; (5-Chloro-2-piperazin-1-yl-phenyl)-phenyl-methanone CHEMOCENTRYX, INC. (US) 2008-11-11 US disclosed
US-20080261987-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2008-10-23 US disclosed
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 US disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 EP disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 US disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 WO disclosed
EP-1531822-A1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS Chemocentryx, Inc. (US) 2005-05-25 EP disclosed
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 US disclosed
US-20040082571-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2004-04-29 US disclosed
WO-2003105853-A1 1-ARYL-4-SUBSTITUTED PIPERAZINES DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX, INC. (US) 2003-12-24 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-20080261987-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 AXL 3814/4885KEAP1 191/4885CA12 4469/4885
US-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 AXL 3814/4885KEAP1 191/4885CA12 4469/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 AXL 3673/4885KEAP1 417/4885CA12 4722/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 AXL 3673/4885KEAP1 417/4885CA12 4722/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 AXL 3814/4885KEAP1 191/4885CA12 4469/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 AXL 3673/4885KEAP1 417/4885CA12 4722/4885

“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.