SCHEMBL3465241

SCHEMBL3465241

Cc1[nH]nc(-c2ccc(Cl)nc2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.43
PIK3CD O00329 1/20 0.42
KDR P35968 1/20 0.41
ETV6 P41212 1/20 0.41
CYP2A6 P11509 1/20 0.40
TNIK Q9UKE5 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
IKBKB O14920 2/20 0.37
NOTUM Q6P988 1/20 0.37
MAP3K14 Q99558 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
GYS1 P13807 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL13162522 0.86 HPGDS (0.45) MEN1KMT2AIKBKBMAP3K14NPC1
SCHEMBL3463956 0.80 TRPA1 (0.46) CHEK1PIK3CDKDRIKBKBMAPK1
SCHEMBL13162959 0.76 MAPT (0.44) KDRMAPT
SCHEMBL13163038 0.75 PIK3CD (0.41) PIK3CDCYP3A4MAPT
SCHEMBL16200385 0.75 ALDH1A1 (0.45) MEN1KMT2AIKBKBMAP3K14ALDH1A1
SCHEMBL2614356 0.75 IKBKB (0.50) CHEK1MEN1KMT2AIKBKBMAP3K14
SCHEMBL3464003 0.75 MAP2K4 (0.55) CHEK1KDRCYP2A6KDM4EALDH1A1
SCHEMBL2875179 0.74 AKT2 (0.50) CHEK1KMT2ANPC1RAB9AKDM4E
SCHEMBL4866745 0.74 PIK3CD (0.43) CHEK1PIK3CDCYP2A6MEN1KMT2A
SCHEMBL24119890 0.74 ERBB2 (0.45) MEN1KMT2AIKBKBNOTUMMAP3K14

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-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
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 CHEK1 2718/4885PIK3CD 4081/4885KDR 2581/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 CHEK1 2718/4885PIK3CD 4081/4885KDR 2581/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 CHEK1 2718/4885PIK3CD 4081/4885KDR 2581/4885

“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.