SCHEMBL3464623

SCHEMBL3464623

Cc1[nH]nc(-c2ccncn2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.41
MAPK11 Q15759 13/20 0.41
MAPK10 P53779 1/20 0.39
MAPK9 P45984 3/20 0.37
MAP4K4 O95819 2/20 0.37
EGFR P00533 2/20 0.37
FRK P42685 2/20 0.37
CSNK1A1 P48729 2/20 0.37
DCLK1 O15075 1/20 0.37
PRKD3 O94806 1/20 0.37
PRKACA P17612 1/20 0.37
FLT3 P36888 1/20 0.37
GSK3B P49841 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
SLK Q9H2G2 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
MAP4K5 Q9Y4K4 1/20 0.37
GRM5 P41594 1/20 0.35
LRRK2 Q5S007 1/20 0.34
MAPK13 O15264 1/20 0.34

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
SCHEMBL13184087 0.83 LRRK2 (0.38) MAPK14MAPK11MAPK10MAPK9MAP4K4
SCHEMBL3223552 0.78 LRRK2 (0.51) LRRK2
SCHEMBL3464192 0.75 LRRK2 (0.43) MAPK14MAPK11LRRK2
SCHEMBL3464248 0.73 CCR1 (0.52) MAPK14LRRK2
SCHEMBL13184341 0.73 MAPK14 (0.42) MAPK14MAPK11MAPK10MAPK9MAP4K4
SCHEMBL16200322 0.70 HCAR2 (0.35)
SCHEMBL3464972 0.70 ALK (0.49) MAPK14MAPK10MAPK9MAP4K4EGFR
SCHEMBL3229317 0.69 HCAR2 (0.37) MAPK14LRRK2
SCHEMBL14114318 0.69 CCNT1 (0.39) MAPK14MAPK11MAPK10MAPK9MAP4K4
SCHEMBL13184420 0.69 MAP4K4 (0.43) MAPK14MAPK11MAPK10MAPK9MAP4K4

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
EP-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 EP 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-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
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 1759/4885MAPK11 1660/4885MAPK10 2610/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 MAPK14 1759/4885MAPK11 1660/4885MAPK10 2610/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 MAPK14 1759/4885MAPK11 1660/4885MAPK10 2610/4885

“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.