SCHEMBL3464293

SCHEMBL3464293

FC(F)(F)c1n[nH]c(-c2ccccn2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TGFBR1 P36897 6/20 0.40
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39

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
SCHEMBL19667024 0.81 TDP1 (0.42) TDP1L3MBTL1ALDH1A1HSP90AA1HTT
SCHEMBL19064531 0.79 TDP1 (0.40) TDP1L3MBTL1ALDH1A1HSP90AA1HTT
SCHEMBL13162523 0.77 LRRK2 (0.53) TDP1L3MBTL1HSP90AA1HTTTGFBR1
SCHEMBL2870930 0.77 GAA (0.41) L3MBTL1ALDH1A1HTTNPSR1KDM4E
SCHEMBL16200073 0.76 METAP1 (0.44) TDP1L3MBTL1KMT2ATGFBR1CCR1
SCHEMBL17420130 0.75 L3MBTL1 (0.37) TDP1L3MBTL1ALDH1A1HSP90AA1HTT
SCHEMBL28021910 0.74 L3MBTL1 (0.45) TDP1L3MBTL1ALDH1A1HSP90AA1HTT
SCHEMBL20837061 0.73 L3MBTL1 (0.43) TDP1L3MBTL1ALDH1A1HSP90AA1HTT
SCHEMBL2871119 0.73 NOTUM (0.37) TDP1POLBALOX15HSD17B10MAPK1
SCHEMBL28714557 0.73 KMT2A (0.36) TDP1L3MBTL1ALDH1A1HSP90AA1HTT

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 16 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
CN-100542534-C Substituted piperazines CHEMOCENTRYX INC (US) 2009-09-23 CN 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 TDP1 3835/4885L3MBTL1 1589/4885ALDH1A1 951/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 TDP1 3835/4885L3MBTL1 1589/4885ALDH1A1 951/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 TDP1 3835/4885L3MBTL1 1589/4885ALDH1A1 951/4885

“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.