SCHEMBL3464244

SCHEMBL3464244

Cc1[nH]nc(-c2ccccn2)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.51
PIM1 P11309 3/20 0.46
NPC1 O15118 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 1/20 0.44
NTRK1 P04629 1/20 0.44
METAP1 P53582 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43
DOHH Q9BU89 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
RAB9A P51151 2/20 0.41
HCAR2 Q8TDS4 1/20 0.41
ALPL P05186 1/20 0.41

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
SCHEMBL13184082 0.82 LRRK2 (0.54) LRRK2PIM1NPC1KDM4EMAPK1
SCHEMBL16068661 0.79 LRRK2 (0.51) LRRK2PIM1NPC1KDM4ENTRK1
SCHEMBL3223552 0.79 LRRK2 (0.51) LRRK2PIM1NPC1KDM4EMAPK1
SCHEMBL25428732 0.76 LRRK2 (0.47) LRRK2PIM1NPC1KDM4EMAPK1
SCHEMBL10515617 0.73 AKT2 (0.58) LRRK2NPC1KDM4EMAPK1METAP1
SCHEMBL30230891 0.73 AKT2 (0.58) LRRK2NPC1KDM4EMAPK1METAP1
SCHEMBL15823740 0.72 LRRK2 (0.51) LRRK2PIM1NPC1KDM4EMAPK1
SCHEMBL16979046 0.71 HTR7 (0.46) NPC1KDM4ERAB9AHCAR2PKM
SCHEMBL30435128 0.71 KDM4E (0.53) LRRK2NPC1KDM4EMAPK1METAP1
SCHEMBL28038943 0.70 KDM4E (0.47) LRRK2PIM1NPC1KDM4EMAPK1

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 8 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-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-7435831-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 US disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 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 (2 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 LRRK2 3904/4885PIM1 3992/4885NPC1 635/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 LRRK2 3904/4885PIM1 3992/4885NPC1 635/4885

“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.