SCHEMBL3464248

SCHEMBL3464248

Cc1ccnc(-c2n[nH]c(C)c2Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.52
CCR5 P51681 1/20 0.52
CCR8 P51685 1/20 0.52
METAP2 P50579 1/20 0.46
PIM1 P11309 1/20 0.41
CYP2A6 P11509 1/20 0.39
UHRF1 Q96T88 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 2/20 0.35
CNR1 P21554 1/20 0.34
MAP2K4 P45985 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
MAPKAPK3 Q16644 1/20 0.33
MAPK6 Q16659 1/20 0.33

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
SCHEMBL3223552 0.78 LRRK2 (0.51) CCR1CCR5CCR8METAP2PIM1
SCHEMBL16200207 0.74 JMJD6 (0.59) KDM4EMEN1KMT2APOLBMAPK1
SCHEMBL3465575 0.73 MAPK1 (0.47) MAPK1LRRK2MAPK14
SCHEMBL3464623 0.73 MAPK14 (0.41) LRRK2MAPK14
SCHEMBL181893 0.71 CCR1 (1.00) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL29397106 0.71 CCR1 (1.00) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL16200322 0.70 HCAR2 (0.35) KDM4EMEN1KMT2APOLBMAPK1
SCHEMBL16200284 0.70 CCR1 (0.52) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL3229317 0.69 HCAR2 (0.37) KMT2AMAPK1CYP3A4LRRK2HCAR2
SCHEMBL27275747 0.69 CCR1 (0.55) CCR1CCR5CCR8METAP2PIM1

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 9 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-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
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 CCR1 1/4885CCR5 8/4885CCR8 9/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCR1 1/4885CCR5 8/4885CCR8 9/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 CCR1 1/4885CCR5 8/4885CCR8 9/4885

“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.