SCHEMBL2873998

SCHEMBL2873998

Cc1cc(NC(=O)C(F)(F)F)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.54
CDK2 P24941 2/20 0.54
CCNA1 P78396 2/20 0.54
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
DHODH Q02127 1/20 0.46
CHUK O15111 1/20 0.46
RET P07949 4/20 0.46
TNIK Q9UKE5 1/20 0.43
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
DAO P14920 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
ALPL P05186 1/20 0.41
ALPG P10696 1/20 0.41

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
SCHEMBL6348987 0.84 CCNA2 (0.55) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL6349668 0.80 CCNA2 (0.62) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL6341559 0.80 CCNA2 (0.62) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL3498417 0.78 CCNA2 (0.60) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL29972030 0.77 CCNA2 (0.58) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL19538989 0.74 CCNA2 (0.55) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL6341557 0.74 CCNA2 (0.85) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL1051830 0.73 RET (0.35) CHUKRETTNIKLCKSRC
SCHEMBL3500966 0.71 ALPL (0.57) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL28413195 0.71 CDK2 (0.62) CCNA2CDK2CCNA1NPC1RAB9A

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 23 patents — showing the first 20. 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-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
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-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-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 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 (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-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCNA2 3808/4885CDK2 1611/4885CCNA1 2769/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCNA2 3473/4885CDK2 1388/4885CCNA1 2561/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCNA2 3473/4885CDK2 1388/4885CCNA1 2561/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCNA2 3808/4885CDK2 1611/4885CCNA1 2769/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 CCNA2 3473/4885CDK2 1388/4885CCNA1 2561/4885

“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.