SCHEMBL3464307

SCHEMBL3464307

Cc1n[nH]c(-c2ccncc2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.40
MAPK13 O15264 7/20 0.40
MAPK12 P53778 7/20 0.40
MAPK11 Q15759 7/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CLK2 P49760 1/20 0.39
CSNK1G1 Q9HCP0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
GCGR P47871 4/20 0.37

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
SCHEMBL2876858 0.82 AKT2 (0.50) MAPTTP53CYP1A2CYP3A4GAA
SCHEMBL14519407 0.78 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL13184341 0.75 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11CYP2D6
SCHEMBL13184127 0.73 TLR9 (0.36) MAPTTP53CYP1A2CYP3A4GAA
SCHEMBL5253523 0.73 AKT2 (0.58) MAPK14MAPK13MAPK12MAPK11MAPK1
SCHEMBL3465487 0.73 HPGDS (0.45) MAPK14MAPTTP53CYP1A2CYP3A4
SCHEMBL16200249 0.73 FYN (0.38) MAPTTP53CYP1A2CYP3A4GAA
SCHEMBL14519408 0.73 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11MAPK1
SCHEMBL6078226 0.73 AKT2 (0.58) MAPK14MAPK13MAPK12MAPK11MAPK1
SCHEMBL2052954 0.71 CYP2A6 (0.41) MAPK14MAPK13MAPK12MAPK11MAPT

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 1759/4885MAPK13 2501/4885MAPK12 2013/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 MAPK14 1759/4885MAPK13 2501/4885MAPK12 2013/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 MAPK14 1759/4885MAPK13 2501/4885MAPK12 2013/4885

“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.