SCHEMBL3465575

SCHEMBL3465575

Cc1cc(-c2n[nH]c(C)c2Cl)ccn1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 12/20 0.47
LRRK2 Q5S007 4/20 0.46
MAPK13 O15264 1/20 0.42
GCGR P47871 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
MAPK3 P27361 2/20 0.42

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
SCHEMBL24963539 0.80 LRRK2 (0.59) MAPK1LRRK2MAPK13GCGRMAPK12
SCHEMBL13683153 0.80 CSNK1D (0.41) MAPK1LRRK2MAPK3
SCHEMBL13184175 0.80 LRRK2 (0.35) MAPK1LRRK2MAPK3
SCHEMBL3465603 0.80 XDH (0.46) MAPK1LRRK2
SCHEMBL3464192 0.79 LRRK2 (0.43) MAPK1LRRK2MAPK11MAPK14
SCHEMBL7857724 0.77 LRRK2 (0.58) MAPK1LRRK2MAPK11MAPK14MAPK3
SCHEMBL13162522 0.75 HPGDS (0.45) MAPK1LRRK2MAPK14
SCHEMBL3464248 0.73 CCR1 (0.52) MAPK1LRRK2MAPK14
SCHEMBL2875179 0.73 AKT2 (0.50)
SCHEMBL20018656 0.72 MAPK1 (0.64) MAPK1

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 11 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
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
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

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 MAPK1 1051/4885LRRK2 3904/4885MAPK13 2501/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 MAPK1 1051/4885LRRK2 3904/4885MAPK13 2501/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 MAPK1 1051/4885LRRK2 3904/4885MAPK13 2501/4885

“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.