SCHEMBL3465487

SCHEMBL3465487

Cc1ccc(-c2[nH]nc(C)c2Cl)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.45
MAPT P10636 3/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
PKM P14618 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
IKBKB O14920 1/20 0.34
PTGS2 P35354 5/20 0.34
PTGS1 P23219 2/20 0.34
TDO2 P48775 1/20 0.34
ABCC4 O15439 1/20 0.34

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
SCHEMBL2876858 0.74 AKT2 (0.50) MAPTTP53CYP1A2CYP3A4GAA
SCHEMBL3464307 0.73 MAPK14 (0.40) MAPTTP53CYP1A2CYP3A4GAA
SCHEMBL13162522 0.72 HPGDS (0.45) HPGDSMAPTCYP1A2CYP3A4GAA
SCHEMBL26828208 0.71 AKT2 (0.56) HPGDSMAPK1NPC1RAB9APKM
SCHEMBL676678 0.70 HPGDS (0.56) HPGDSNPC1RAB9APKMPRMT5
SCHEMBL24427333 0.69 NPC1 (0.43) HPGDSMAPK1NPC1RAB9APKM
SCHEMBL16200249 0.69 FYN (0.38) MAPTTP53CYP1A2CYP3A4GAA
SCHEMBL17051516 0.68 HPGDS (0.54) HPGDSNPC1RAB9APKMPRMT5
SCHEMBL2757245 0.67 NPC1 (0.50) HPGDSMAPTCYP1A2CYP3A4GAA
SCHEMBL14043920 0.67 HDAC1 (0.44) MAPTMAPK1SMN1; SMN2L3MBTL1

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
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
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
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 HPGDS 105/4885MAPT 4063/4885TP53 3653/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 HPGDS 105/4885MAPT 4063/4885TP53 3653/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 HPGDS 105/4885MAPT 4063/4885TP53 3653/4885

“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.