SCHEMBL5494002

SCHEMBL5494002

CCCCCCCCCCCCc1csc(Nc2ccccc2)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.74
ADRB1 P08588 2/20 0.74
ADRB3 P13945 2/20 0.74
RAB9A P51151 5/20 0.53
GAA P10253 3/20 0.53
KMT2A Q03164 3/20 0.53
PLA2G7 Q13093 1/20 0.50
CCR4 P51679 1/20 0.49
CSNK2A1 P68400 1/20 0.49
PLK3 Q9H4B4 1/20 0.49
KCNH3 Q9ULD8 1/20 0.48
NPC1 O15118 4/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 7/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KCNH2 Q12809 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MMP2 P08253 1/20 0.46

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
SCHEMBL491436 0.99 ADRB2 (0.72) ADRB2ADRB1ADRB3RAB9AGAA
SCHEMBL27812589 0.94 ADRB2 (0.67) ADRB2ADRB1ADRB3RAB9AGAA
Bromide SCHEMBL27812101 0.93 ADRB2 (0.65) ADRB2ADRB1ADRB3RAB9AGAA
SCHEMBL13181102 0.88 ADRB2 (0.59) ADRB2ADRB1ADRB3RAB9AGAA
SCHEMBL206453 0.83 ADRB3 (0.59) ADRB2ADRB1ADRB3RAB9AGAA
SCHEMBL13503715 0.82 RAB9A (0.62) ADRB2ADRB1ADRB3RAB9AGAA
SCHEMBL28007919 0.80 ADRB2 (0.55) ADRB2ADRB1ADRB3RAB9AGAA
SCHEMBL28818145 0.80 ALDH1A1 (0.59) ADRB2ADRB1ADRB3RAB9AGAA
SCHEMBL9385942 0.79 CSNK2A1 (0.58) ADRB2ADRB1ADRB3RAB9AGAA
SCHEMBL28007948 0.79 MAPT (0.62) ADRB2ADRB1ADRB3GAAKMT2A

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-7262204-B2 Modulation of CCR4 function AMGEN INC. (US) 2007-08-28 US disclosed
US-7144903-B2 CCR4 antagonists AMGEN INC. (US) 2006-12-05 US disclosed
EP-1578341-A4 MODULATION OF CCR4 FUNCTION TULARIK INC (US) 2005-09-28 EP disclosed
EP-1578341-A2 MODULATION OF CCR4 FUNCTION Tularik Inc. (US) 2005-09-28 EP disclosed
US-20040039035-A1 Modulation of CCR4 function TULARIK INC. 2004-02-26 US disclosed
US-20030018022-A1 Ccr4 antagonists TULARIK INC. 2003-01-23 US disclosed
WO-2002094264-A1 CCR4 ANTAGONISTS TULARIK INC. (US) 2002-11-28 WO disclosed
US-20020173524-A1 Modulation of CCR4 function TULARIK INC. (US) 2002-11-21 US disclosed
WO-2002030358-A2 MODULATION OF CCR4 FUNCTION TULARIK INC. (US) 2002-04-18 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-20030018022-A1 Ccr4 antagonists CCR4, CCR1, CCR3 ADRB2 476/4885ADRB1 322/4885ADRB3 285/4885
US-20020173524-A1 Modulation of CCR4 function CCR4, CCR1, CCR3 ADRB2 1170/4885ADRB1 734/4885ADRB3 542/4885
US-20040039035-A1 Modulation of CCR4 function CCR4, CCR1, CCR3 ADRB2 1170/4885ADRB1 734/4885ADRB3 542/4885

“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.