SCHEMBL2866868

SCHEMBL2866868

Cc1n[nH]c(-c2cccs2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.42
POLB P06746 3/20 0.42
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TYMP P19971 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ILK Q13418 1/20 0.38
CHRNE Q04844 1/20 0.38
MEN1 O00255 1/20 0.38
NFKB1 P19838 1/20 0.38
AHR P35869 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL13066527 0.74 NPSR1 (0.40) POLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL2876509 0.73 KMT2A (0.56) POLBMAPTKDM4EALDH1A1GAA
SCHEMBL13715619 0.73 POLB (0.37) KDRPOLBMAPTKDM4EALDH1A1
SCHEMBL8684518 0.72 ILK (0.50) KDRPOLBMAPTKDM4EALDH1A1
SCHEMBL5259228 0.72 CHEK1 (0.49) KDRMAPTKDM4EALDH1A1GAA
SCHEMBL2876858 0.71 AKT2 (0.50) MAPTKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL8322473 0.70 ABL1 (0.40) KDRPOLB
SCHEMBL3464307 0.69 MAPK14 (0.40) POLBMAPTGAATP53
SCHEMBL16200261 0.68 PIK3CD (0.45) POLBMAPTKDM4EALDH1A1GAA
SCHEMBL29580819 0.68 MAPT (0.42) POLBMAPTKDM4EALDH1A1GAA

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 18 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-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 US disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 US disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 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
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 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 (4 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 KDR 2581/4885POLB 2884/4885MAPT 4063/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 KDR 2581/4885POLB 2884/4885MAPT 4063/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 KDR 2433/4885POLB 3493/4885MAPT 3524/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 KDR 2581/4885POLB 2884/4885MAPT 4063/4885

“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.