SCHEMBL3464587

SCHEMBL3464587

Cc1n[nH]c(-c2ccncc2)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CLK2 P49760 1/20 0.39
CSNK1G1 Q9HCP0 1/20 0.39
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 3/20 0.37
POLB P06746 1/20 0.37
BCHE P06276 1/20 0.36
AURKA O14965 1/20 0.36
CDK1 P06493 1/20 0.36
LYN P07948 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36
RPS6KB1 P23443 1/20 0.36
CDK2 P24941 1/20 0.36
MARK3 P27448 1/20 0.36

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
SCHEMBL16225421 0.82 AKT2 (0.50) GAAAKT1RPS6KA3ALDH1A1HSD17B10
SCHEMBL6155594 0.79 PIK3CD (0.42) LMNAGAAMAPTTDP1ALDH1A1
SCHEMBL3488188 0.79 MAPK14 (0.41) MAPK14GAAMAPTGCGRALDH1A1
SCHEMBL3464307 0.77 MAPK14 (0.40) MAPK14CSNK1A1CSNK1DCLK2CSNK1G1
SCHEMBL6157209 0.77 NOTUM (0.41) MAPTTDP1AURKAALDH1A1HSD17B10
SCHEMBL5253523 0.73 AKT2 (0.58) MAPK14AURKACDK1LYNPIM1
SCHEMBL6078226 0.73 AKT2 (0.58) MAPK14AURKACDK1LYNPIM1
SCHEMBL14519408 0.73 MAPK14 (0.50) MAPK14LMNATDP1GCGRALDH1A1
SCHEMBL6154401 0.73 TDP1 (0.48) LMNAMAPTTDP1POLBALDH1A1
SCHEMBL13184321 0.71

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 15 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-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 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
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
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
EP-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 MAPK14 1759/4885CSNK1A1 1619/4885CSNK1D 2672/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 MAPK14 1759/4885CSNK1A1 1619/4885CSNK1D 2672/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 MAPK14 1759/4885CSNK1A1 1619/4885CSNK1D 2672/4885

“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.