SCHEMBL3464972

SCHEMBL3464972

Cc1cc(-c2ccncn2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
PDE10A Q9Y233 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2D6 P10635 2/20 0.41
HCAR2 Q8TDS4 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
GSK3B P49841 2/20 0.36
DCLK1 O15075 1/20 0.36

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
SCHEMBL30489997 0.76 L3MBTL1 (0.58) ALKL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL3215516 0.76 L3MBTL1 (0.58) ALKL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL3860074 0.75 L3MBTL1 (0.68) ALKL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL30595872 0.74 HSP90AA1 (0.52) MAPTKDM4ECYP2D6CYP1A2GSK3B
SCHEMBL2814353 0.74 HSP90AA1 (0.52) MAPTKDM4ECYP2D6CYP1A2GSK3B
SCHEMBL13184087 0.73 LRRK2 (0.38) CYP2D6GSK3BDCLK1PRKD3MAP4K4
SCHEMBL15500839 0.73 CDC7 (0.39) CYP2D6GSK3BDCLK1PRKD3MAP4K4
SCHEMBL12461456 0.72 CCR1 (0.61) ALKL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6580330 0.72 PIM1 (0.57) ALKL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL24638212 0.71 L3MBTL1 (0.44) ALKL3MBTL1NPC1RAB9ASMN1; SMN2

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 14 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
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 ALK 2664/4885L3MBTL1 1589/4885NPC1 635/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 ALK 2664/4885L3MBTL1 1589/4885NPC1 635/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 ALK 2664/4885L3MBTL1 1589/4885NPC1 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.